1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide

C15H15F4N5O — CID 119552344

IUPAC1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)C1CCNC1
InChIInChI=1S/C15H15F4N5O/c1-23(11-5-6-20-8-11)14(25)12-13(15(17,18)19)24(22-21-12)10-4-2-3-9(16)7-10/h2-4,7,11,20H,5-6,8H2,1H3
InChIKeyBTCIXHBAINJSAH-UHFFFAOYSA-N
MW357.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide

1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 119552344) has the molecular formula C15H15F4N5O and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
PubChem CID119552344
Molecular FormulaC15H15F4N5O
Molecular Weight357.31 g/mol
Exact Mass357.12
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)C1CCNC1
InChIInChI=1S/C15H15F4N5O/c1-23(11-5-6-20-8-11)14(25)12-13(15(17,18)19)24(22-21-12)10-4-2-3-9(16)7-10/h2-4,7,11,20H,5-6,8H2,1H3
InChIKeyBTCIXHBAINJSAH-UHFFFAOYSA-N
XLogP1.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-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

N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119553182
[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124693894
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(2-amino-2-methylpropyl)-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119628217
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 119502155
N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 124613785
N-[2-(ethylamino)ethyl]-1-(3-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119507058
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
CID 119551937
(3-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]methanone
CID 119379500
5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119550146
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613688
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613687

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide (CID 119552344) is 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide is CN(C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)C1CCNC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is BTCIXHBAINJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N5O/c1-23(11-5-6-20-8-11)14(25)12-13(15(17,18)19)24(22-21-12)10-4-2-3-9(16)7-10/h2-4,7,11,20H,5-6,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide?
1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 119552344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).