AG69949
595610-40-5 | Ethyl 5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG69949
ChemicalName
Ethyl 5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate
CasNumber
595610-40-5
MolecularFormula
C12H11ClN2O2
MolecularWeight
250.6809
MdlNumber
MFCD03130040
Smiles
CCOC(=O)c1n[nH]c(c1)c1ccc(cc1)Cl
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AG69949
ChemicalName: Ethyl 5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate
CasNumber: 595610-40-5
MolecularFormula: C12H11ClN2O2
MolecularWeight: 250.6809
MdlNumber: MFCD03130040
Smiles: CCOC(=O)c1n[nH]c(c1)c1ccc(cc1)Cl
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AG69949
ChemicalName:
Ethyl 5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate
CasNumber:
595610-40-5
MolecularFormula:
C12H11ClN2O2
MolecularWeight:
250.6809
MdlNumber:
MFCD03130040
Smiles:
CCOC(=O)c1n[nH]c(c1)c1ccc(cc1)Cl
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AG69950
ChemicalName: Ethyl 5-(4-methylphenyl)-2H-pyrazole-3-carboxylate
CasNumber: 595610-41-6
MolecularFormula: C13H14N2O2
MolecularWeight: 230.2625
MdlNumber: MFCD07364375
Smiles: CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AG69950
ChemicalName:
Ethyl 5-(4-methylphenyl)-2H-pyrazole-3-carboxylate
CasNumber:
595610-41-6
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.2625
MdlNumber:
MFCD07364375
Smiles:
CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: AG69951
ChemicalName: 5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine
CasNumber: 62880-67-5
MolecularFormula: C9H11BrClN3
MolecularWeight: 276.5607
MdlNumber: MFCD03669908
Smiles: Brc1cnc(nc1N1CCCCC1)Cl
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AG69951
ChemicalName:
5-Bromo-2-chloro-4-(piperidin-1-yl)pyrimidine
CasNumber:
62880-67-5
MolecularFormula:
C9H11BrClN3
MolecularWeight:
276.5607
MdlNumber:
MFCD03669908
Smiles:
Brc1cnc(nc1N1CCCCC1)Cl
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)sc(=O)[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)sc(=O)[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__