AD50305
317806-51-2 | 5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD50305
ChemicalName
5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber
317806-51-2
MolecularFormula
C6H6F3N3O2
MolecularWeight
209.1259
MdlNumber
MFCD12827717
Smiles
OC(=O)c1c(N)n(nc1C(F)(F)F)C
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AD50305
ChemicalName: 5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber: 317806-51-2
MolecularFormula: C6H6F3N3O2
MolecularWeight: 209.1259
MdlNumber: MFCD12827717
Smiles: OC(=O)c1c(N)n(nc1C(F)(F)F)C
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AD50305
ChemicalName:
5-Amino-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber:
317806-51-2
MolecularFormula:
C6H6F3N3O2
MolecularWeight:
209.1259
MdlNumber:
MFCD12827717
Smiles:
OC(=O)c1c(N)n(nc1C(F)(F)F)C
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
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Smiles: COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)OC(C)(C)C
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Smiles: Brc1ccc2c(c1F)cccc2
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Smiles:
Brc1ccc2c(c1F)cccc2
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Smiles: n1ccc(cc1)C1=C2C=CC3=C(c4ccncc4)C4=[N]5[Zn+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccncc1)c1ccncc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
n1ccc(cc1)C1=C2C=CC3=C(c4ccncc4)C4=[N]5[Zn+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccncc1)c1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__