N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C15H12F3N5O — CID 124888347

IUPACN-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H](c1cccc(C(F)(F)F)c1)c1ncn[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)10-4-1-3-9(7-10)12(13-20-8-21-23-13)22-14(24)11-5-2-6-19-11/h1-8,12,19H,(H,22,24)(H,20,21,23)/t12-/m1/s1
InChIKeyQLWQCASSJNQTBP-GFCCVEGCSA-N
MW335.29 g/mol
LogP2.67
Rot. Bonds4

About N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 124888347) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID124888347
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H](c1cccc(C(F)(F)F)c1)c1ncn[nH]1)c1ccc[nH]1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)10-4-1-3-9(7-10)12(13-20-8-21-23-13)22-14(24)11-5-2-6-19-11/h1-8,12,19H,(H,22,24)(H,20,21,23)/t12-/m1/s1
InChIKeyQLWQCASSJNQTBP-GFCCVEGCSA-N
XLogP2.67
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]but-2-enamide
CID 127265777
N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 159006341
3-hydroxy-N-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 167895138
1-[1-(4-methylphenyl)butan-2-yl]-3-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]urea
CID 166234162
N-(5-chloro-2-pyridinyl)-3-[[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]carbamoylamino]benzamide
CID 166324579
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
(1R)-N-[(4-hexoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 99782746
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
3-oxo-4-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]butanenitrile
CID 70514520
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1H-pyrrole-2-carboxamide
CID 97237297
6-(methylamino)-N-[1H-pyrazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 90980912
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 124888347) is N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is O=C(N[C@H](c1cccc(C(F)(F)F)c1)c1ncn[nH]1)c1ccc[nH]1.
What is the InChIKey of N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QLWQCASSJNQTBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-15(17,18)10-4-1-3-9(7-10)12(13-20-8-21-23-13)22-14(24)11-5-2-6-19-11/h1-8,12,19H,(H,22,24)(H,20,21,23)/t12-/m1/s1.
What are the key properties of N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 124888347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).