AX25947
1365354-76-2 | 3-Isopropyl-4-nitro-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AX25947
ChemicalName
3-Isopropyl-4-nitro-1H-pyrazole-5-carboxylic acid
CasNumber
1365354-76-2
MolecularFormula
C7H9N3O4
MolecularWeight
199.1641
MdlNumber
MFCD17194172
Smiles
CC(C)C1=C(C(=NN1)C(=O)O)[N+](=O)[O-]
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AX25947
ChemicalName: 3-Isopropyl-4-nitro-1H-pyrazole-5-carboxylic acid
CasNumber: 1365354-76-2
MolecularFormula: C7H9N3O4
MolecularWeight: 199.1641
MdlNumber: MFCD17194172
Smiles: CC(C)C1=C(C(=NN1)C(=O)O)[N+](=O)[O-]
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AX25947
ChemicalName:
3-Isopropyl-4-nitro-1H-pyrazole-5-carboxylic acid
CasNumber:
1365354-76-2
MolecularFormula:
C7H9N3O4
MolecularWeight:
199.1641
MdlNumber:
MFCD17194172
Smiles:
CC(C)C1=C(C(=NN1)C(=O)O)[N+](=O)[O-]
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: CC(C)(C)OC(=O)N(C)C1CNCCC1F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(C)(C)OC(=O)N(C)C1CNCCC1F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: O=C(N1C[C@H]2[C@@H](C1)CCNC2)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1C[C@H]2[C@@H](C1)CCNC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@@H]2[C@H]1CCNC2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@@H]2[C@H]1CCNC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__