1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide

C19H14F2N6O — CID 55891897

IUPAC1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N6O/c1-12-18(24-25-27(12)15-6-3-13(20)4-7-15)19(28)23-14-5-8-17(16(21)11-14)26-10-2-9-22-26/h2-11H,1H3,(H,23,28)
InChIKeyNLNPBRPEDBXIFB-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 55891897) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID55891897
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N6O/c1-12-18(24-25-27(12)15-6-3-13(20)4-7-15)19(28)23-14-5-8-17(16(21)11-14)26-10-2-9-22-26/h2-11H,1H3,(H,23,28)
InChIKeyNLNPBRPEDBXIFB-UHFFFAOYSA-N
XLogP3.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55891896
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 55599105
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86901240
N-[3-fluoro-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 162658313
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide (CID 55891897) is 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is NLNPBRPEDBXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c1-12-18(24-25-27(12)15-6-3-13(20)4-7-15)19(28)23-14-5-8-17(16(21)11-14)26-10-2-9-22-26/h2-11H,1H3,(H,23,28).
What are the key properties of 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55891897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).