AG19230
51105-90-9 | methyl 1H-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG19230
ChemicalName
methyl 1H-pyrazole-4-carboxylate
CasNumber
51105-90-9
MolecularFormula
C5H6N2O2
MolecularWeight
126.1133
MdlNumber
MFCD00297363
Smiles
COC(=O)c1c[nH]nc1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AG19230
ChemicalName: methyl 1H-pyrazole-4-carboxylate
CasNumber: 51105-90-9
MolecularFormula: C5H6N2O2
MolecularWeight: 126.1133
MdlNumber: MFCD00297363
Smiles: COC(=O)c1c[nH]nc1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AG19230
ChemicalName:
methyl 1H-pyrazole-4-carboxylate
CasNumber:
51105-90-9
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.1133
MdlNumber:
MFCD00297363
Smiles:
COC(=O)c1c[nH]nc1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
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Smiles: C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)Br
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)Br
Complexity:
__
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Smiles: O=C(Nc1ccc(cc1)C(=O)O)C=Cc1ccccc1
Complexity: __
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Smiles:
O=C(Nc1ccc(cc1)C(=O)O)C=Cc1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Brc1ccc(cc1)NC(=O)c1ccccc1N
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1ccc(cc1)NC(=O)c1ccccc1N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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