2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

C16H17F3N4O2 — CID 118775432

IUPAC2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-14-6-1-4-12(10-14)21-15(24)23-9-2-5-13(23)11-22-8-3-7-20-22/h1,3-4,6-8,10,13H,2,5,9,11H2,(H,21,24)
InChIKeyPSCOJQAQKQJTMR-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.48
Rot. Bonds4

About 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 118775432) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID118775432
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC1Cn1cccn1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-14-6-1-4-12(10-14)21-15(24)23-9-2-5-13(23)11-22-8-3-7-20-22/h1,3-4,6-8,10,13H,2,5,9,11H2,(H,21,24)
InChIKeyPSCOJQAQKQJTMR-UHFFFAOYSA-N
XLogP3.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-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-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
(2R)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442227
(2S)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442228
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide (CID 118775432) is 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC1Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is PSCOJQAQKQJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)25-14-6-1-4-12(10-14)21-15(24)23-9-2-5-13(23)11-22-8-3-7-20-22/h1,3-4,6-8,10,13H,2,5,9,11H2,(H,21,24).
What are the key properties of 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118775432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).