AA20102
1150164-05-8 | Methyl 5-cyclopropylpyrazole-4-carboxylate
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AA20104
ChemicalName: Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 1150164-00-3
MolecularFormula: C13H11ClN4O2
MolecularWeight: 290.705
MdlNumber: MFCD09835739
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Cl
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AA20104
ChemicalName:
Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
1150164-00-3
MolecularFormula:
C13H11ClN4O2
MolecularWeight:
290.705
MdlNumber:
MFCD09835739
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Cl
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: AA20105
ChemicalName: Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 1150163-97-5
MolecularFormula: C13H11BrN4O2
MolecularWeight: 335.156
MdlNumber: MFCD09835742
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AA20105
ChemicalName:
Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
1150163-97-5
MolecularFormula:
C13H11BrN4O2
MolecularWeight:
335.156
MdlNumber:
MFCD09835742
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1