3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C17H17F3N4O3 — CID 122089359

IUPAC3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H17F3N4O3/c1-16(14(25)26)6-8-23(10-16)15(27)21-13-5-7-24(22-13)12-4-2-3-11(9-12)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,25,26)(H,21,22,27)
InChIKeySGBVQKWGVKWMMI-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.22
Rot. Bonds3

About 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122089359) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122089359
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H17F3N4O3/c1-16(14(25)26)6-8-23(10-16)15(27)21-13-5-7-24(22-13)12-4-2-3-11(9-12)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,25,26)(H,21,22,27)
InChIKeySGBVQKWGVKWMMI-UHFFFAOYSA-N
XLogP3.22
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid 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

(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99777369
5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 139008920
3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119256395
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]pyrrolidine-3-carboxylic acid
CID 119256662
3-methyl-1-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074053
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
(3S)-3-methyl-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693043
3-methyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256743
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
4-hydroxy-1-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 166225003

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122089359) is 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SGBVQKWGVKWMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-16(14(25)26)6-8-23(10-16)15(27)21-13-5-7-24(22-13)12-4-2-3-11(9-12)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,25,26)(H,21,22,27).
What are the key properties of 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 382.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122089359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).