N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide

C15H15F3N4O — CID 126768034

IUPACN-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C15H15F3N4O/c1-9-13(20-21-19-9)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,20,21)
InChIKeyLZCNRWNPMLQOAV-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.94
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide

N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 126768034) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
PubChem CID126768034
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C15H15F3N4O/c1-9-13(20-21-19-9)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,20,21)
InChIKeyLZCNRWNPMLQOAV-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
CID 155952612
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632
1-cyclopropyl-3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 71893762
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55596695
N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 99716528
N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119319367
N-cyclopropyl-7,7-dimethyl-2,5-dioxo-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567475
N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820580
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 175935253
(4R)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95228704
(4S)-N,4,6-trimethyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95228705

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide (CID 126768034) is N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is LZCNRWNPMLQOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9-13(20-21-19-9)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 126768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).