AB35451
288250-47-5 | 1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB35451
ChemicalName
1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
CasNumber
288250-47-5
MolecularFormula
C27H29ClN6O2
MolecularWeight
505.0112
MdlNumber
MFCD28099803
Smiles
N#Cc1cc(ccc1N1CCC(CC1)N1CCOCC1)NC(=O)c1cnn(c1C)c1ccc(cc1)Cl
Complexity
784
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.8
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CatalogNumber: AB35451
ChemicalName: 1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
CasNumber: 288250-47-5
MolecularFormula: C27H29ClN6O2
MolecularWeight: 505.0112
MdlNumber: MFCD28099803
Smiles: N#Cc1cc(ccc1N1CCC(CC1)N1CCOCC1)NC(=O)c1cnn(c1C)c1ccc(cc1)Cl
Complexity: 784
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.8
CatalogNumber:
AB35451
ChemicalName:
1-(4-chlorophenyl)-N-{3-cyano-4-[4-(morpholin-4-yl)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
CasNumber:
288250-47-5
MolecularFormula:
C27H29ClN6O2
MolecularWeight:
505.0112
MdlNumber:
MFCD28099803
Smiles:
N#Cc1cc(ccc1N1CCC(CC1)N1CCOCC1)NC(=O)c1cnn(c1C)c1ccc(cc1)Cl
Complexity:
784
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ncc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NNc1ncc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AB35454
ChemicalName: 4-Bromo-2H-pyrazole-3-carbonitrile
CasNumber: 288246-16-2
MolecularFormula: C4H2BrN3
MolecularWeight: 171.9828
MdlNumber: MFCD00105683
Smiles: Brc1c[nH]nc1C#N
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB35454
ChemicalName:
4-Bromo-2H-pyrazole-3-carbonitrile
CasNumber:
288246-16-2
MolecularFormula:
C4H2BrN3
MolecularWeight:
171.9828
MdlNumber:
MFCD00105683
Smiles:
Brc1c[nH]nc1C#N
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1[nH]c(nc1C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1[nH]c(nc1C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__