1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide

C17H19FN6O — CID 56905367

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn(Cc3ccc(F)cc3)nn2)n[nH]1
InChIInChI=1S/C17H19FN6O/c1-11(7-15-8-12(2)20-21-15)19-17(25)16-10-24(23-22-16)9-13-3-5-14(18)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyAIERVAKQGSWUHU-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.86
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide (PubChem CID 56905367) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
PubChem CID56905367
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn(Cc3ccc(F)cc3)nn2)n[nH]1
InChIInChI=1S/C17H19FN6O/c1-11(7-15-8-12(2)20-21-15)19-17(25)16-10-24(23-22-16)9-13-3-5-14(18)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyAIERVAKQGSWUHU-UHFFFAOYSA-N
XLogP1.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 45182739
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 72922137
1-[(3-chlorophenyl)methyl]-N-(1-pyrazin-2-ylpropan-2-yl)triazole-4-carboxamide
CID 45200047
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131918393
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
CID 56750222
1-[(4-chlorophenyl)methyl]-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide (CID 56905367) is 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide is Cc1cc(CC(C)NC(=O)c2cn(Cc3ccc(F)cc3)nn2)n[nH]1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is AIERVAKQGSWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-11(7-15-8-12(2)20-21-15)19-17(25)16-10-24(23-22-16)9-13-3-5-14(18)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 56905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).