AD13213
950858-65-8 | 1-tert-Butyl-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD13213
ChemicalName
1-tert-Butyl-1h-pyrazole-4-carboxylic acid
CasNumber
950858-65-8
MolecularFormula
C8H12N2O2
MolecularWeight
168.19308
MdlNumber
MFCD09934934
Smiles
OC(=O)c1cnn(c1)C(C)(C)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AD13213
ChemicalName: 1-tert-Butyl-1h-pyrazole-4-carboxylic acid
CasNumber: 950858-65-8
MolecularFormula: C8H12N2O2
MolecularWeight: 168.19308
MdlNumber: MFCD09934934
Smiles: OC(=O)c1cnn(c1)C(C)(C)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AD13213
ChemicalName:
1-tert-Butyl-1h-pyrazole-4-carboxylic acid
CasNumber:
950858-65-8
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.19308
MdlNumber:
MFCD09934934
Smiles:
OC(=O)c1cnn(c1)C(C)(C)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Ic1cc(F)c(c(c1)F)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularWeight:
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Smiles:
Ic1cc(F)c(c(c1)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COc1ccc2c(c1)nc(n2c1cnc(cn1)N)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc2c(c1)nc(n2c1cnc(cn1)N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: C=C1N(C)c2c(C1(C)C)cc(cc2)C=Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C1N(C)c2c(C1(C)C)cc(cc2)C=Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__