(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid

C10H12F3N3O3 — CID 155392748

IUPAC(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid
SMILESCn1ncc([C@H]2CNC(O)[C@@H]2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)5(3-15-16)4-2-14-8(17)6(4)9(18)19/h3-4,6,8,14,17H,2H2,1H3,(H,18,19)/t4-,6-,8?/m1/s1
InChIKeyIGIYCELGYXDMJI-GVDZUQGYSA-N
MW279.22 g/mol
LogP0.14
Rot. Bonds2

About (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid

(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 155392748) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID155392748
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid
SMILESCn1ncc([C@H]2CNC(O)[C@@H]2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)5(3-15-16)4-2-14-8(17)6(4)9(18)19/h3-4,6,8,14,17H,2H2,1H3,(H,18,19)/t4-,6-,8?/m1/s1
InChIKeyIGIYCELGYXDMJI-GVDZUQGYSA-N
XLogP0.14
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid (CID 155392748) is (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid is Cn1ncc([C@H]2CNC(O)[C@@H]2C(=O)O)c1C(F)(F)F.
What is the InChIKey of (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is IGIYCELGYXDMJI-GVDZUQGYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)5(3-15-16)4-2-14-8(17)6(4)9(18)19/h3-4,6,8,14,17H,2H2,1H3,(H,18,19)/t4-,6-,8?/m1/s1.
What are the key properties of (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid?
(3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 279.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155392748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).