AA20099
1150164-17-2 | Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA20099
ChemicalName
Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
CasNumber
1150164-17-2
MolecularFormula
C13H11FN4O2
MolecularWeight
274.2504
MdlNumber
MFCD09835735
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)F
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AA20099
ChemicalName: Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
CasNumber: 1150164-17-2
MolecularFormula: C13H11FN4O2
MolecularWeight: 274.2504
MdlNumber: MFCD09835735
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)F
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA20099
ChemicalName:
Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
CasNumber:
1150164-17-2
MolecularFormula:
C13H11FN4O2
MolecularWeight:
274.2504
MdlNumber:
MFCD09835735
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)F
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AA20100
ChemicalName: Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
CasNumber: 1150164-14-9
MolecularFormula: C14H14N4O3
MolecularWeight: 286.286
MdlNumber: MFCD09835750
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AA20100
ChemicalName:
Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
CasNumber:
1150164-14-9
MolecularFormula:
C14H14N4O3
MolecularWeight:
286.286
MdlNumber:
MFCD09835750
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.3
CatalogNumber: AA20102
ChemicalName: Methyl 5-cyclopropylpyrazole-4-carboxylate
CasNumber: 1150164-05-8
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD11855888
Smiles: COC(=O)c1c[nH]nc1C1CC1
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AA20102
ChemicalName:
Methyl 5-cyclopropylpyrazole-4-carboxylate
CasNumber:
1150164-05-8
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD11855888
Smiles:
COC(=O)c1c[nH]nc1C1CC1
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c[nH]nc1c1ccc(cc1)C
Complexity: 249
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c[nH]nc1c1ccc(cc1)C
Complexity:
249
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1