2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide

C13H15F3N6O — CID 136532884

IUPAC2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccnn1C1CCCC1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)12-19-10(20-21-12)7-17-11(23)9-5-6-18-22(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,23)(H,19,20,21)
InChIKeyWAEDTQNLDOTDFX-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.07
Rot. Bonds4

About 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide

2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide (PubChem CID 136532884) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
PubChem CID136532884
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccnn1C1CCCC1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)12-19-10(20-21-12)7-17-11(23)9-5-6-18-22(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,23)(H,19,20,21)
InChIKeyWAEDTQNLDOTDFX-UHFFFAOYSA-N
XLogP2.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-cyclobutyl-3-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 155950012
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
CID 120535691
N-benzyl-2-cyclopropylpyrazole-3-carboxamide
CID 83406815
N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 86800226
(1R,9aR)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide;formic acid
CID 154906788
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
CID 120535538
(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
CID 126430984
2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 154862889
4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707518
3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid
CID 120533520
4-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 155963054

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide (CID 136532884) is 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide is O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is WAEDTQNLDOTDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c14-13(15,16)12-19-10(20-21-12)7-17-11(23)9-5-6-18-22(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,23)(H,19,20,21).
What are the key properties of 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide?
2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136532884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).