1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

C11H14F3N3O2 — CID 119908943

IUPAC1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ncc(CN2CCCC2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-16-9(11(12,13)14)7(5-15-16)6-17-4-2-3-8(17)10(18)19/h5,8H,2-4,6H2,1H3,(H,18,19)
InChIKeyRFTATGFWOYGBOK-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.49
Rot. Bonds3

About 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 119908943) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID119908943
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ncc(CN2CCCC2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-16-9(11(12,13)14)7(5-15-16)6-17-4-2-3-8(17)10(18)19/h5,8H,2-4,6H2,1H3,(H,18,19)
InChIKeyRFTATGFWOYGBOK-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-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

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844042
(2S)-1-[(2-chlorothiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038756
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
N-cyclopropyl-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 136568183
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
[4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 71855110
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686

Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (CID 119908943) is 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is Cn1ncc(CN2CCCC2C(=O)O)c1C(F)(F)F.
What is the InChIKey of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RFTATGFWOYGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-16-9(11(12,13)14)7(5-15-16)6-17-4-2-3-8(17)10(18)19/h5,8H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119908943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).