N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide

C17H15FN4O2 — CID 23607974

IUPACN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)nc1CO
InChIInChI=1S/C17H15FN4O2/c18-13-8-6-12(7-9-13)10-19-17(24)16-15(11-23)20-22(21-16)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,19,24)
InChIKeyYEEPERQPGDTISG-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.83
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide (PubChem CID 23607974) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide
PubChem CID23607974
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)nc1CO
InChIInChI=1S/C17H15FN4O2/c18-13-8-6-12(7-9-13)10-19-17(24)16-15(11-23)20-22(21-16)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,19,24)
InChIKeyYEEPERQPGDTISG-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
CID 23608131
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
2-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)triazole-4-carboxamide
CID 46262752
2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608027
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608156

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide (CID 23607974) is N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2)nc1CO.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is YEEPERQPGDTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-13-8-6-12(7-9-13)10-19-17(24)16-15(11-23)20-22(21-16)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,19,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 23607974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).