AI60073
896466-71-0 | 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI60073
ChemicalName
4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
CasNumber
896466-71-0
MolecularFormula
C9H13N3O4
MolecularWeight
227.21721999999997
MdlNumber
MFCD17015895
Smiles
O=C(Nc1c[nH]nc1C(=O)O)OC(C)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AI60073
ChemicalName: 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
CasNumber: 896466-71-0
MolecularFormula: C9H13N3O4
MolecularWeight: 227.21721999999997
MdlNumber: MFCD17015895
Smiles: O=C(Nc1c[nH]nc1C(=O)O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AI60073
ChemicalName:
4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1h-pyrazole-3-carboxylic acid
CasNumber:
896466-71-0
MolecularFormula:
C9H13N3O4
MolecularWeight:
227.21721999999997
MdlNumber:
MFCD17015895
Smiles:
O=C(Nc1c[nH]nc1C(=O)O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
1.2
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Smiles: OCCN1CCN(CC1)C(S(=O)(=O)[O-])C(O)C.[Na+]
Complexity: __
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Smiles:
OCCN1CCN(CC1)C(S(=O)(=O)[O-])C(O)C.[Na+]
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Smiles: COC(=O)c1ccccc1NC(=O)NCc1ccccc1OC
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Smiles:
COC(=O)c1ccccc1NC(=O)NCc1ccccc1OC
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Smiles: OC(c1cccnc1)c1cccnc1
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Smiles:
OC(c1cccnc1)c1cccnc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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