(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

C15H15F3N4O2 — CID 99777369

IUPAC(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-11(8-10)22-7-5-13(20-22)19-14(24)21-6-4-12(23)9-21/h1-3,5,7-8,12,23H,4,6,9H2,(H,19,20,24)/t12-/m1/s1
InChIKeyAENJMSTZIRUMRI-GFCCVEGCSA-N
MW340.31 g/mol
LogP2.49
Rot. Bonds2

About (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 99777369) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID99777369
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-11(8-10)22-7-5-13(20-22)19-14(24)21-6-4-12(23)9-21/h1-3,5,7-8,12,23H,4,6,9H2,(H,19,20,24)/t12-/m1/s1
InChIKeyAENJMSTZIRUMRI-GFCCVEGCSA-N
XLogP2.49
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089359
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 111435912
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 139008920
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 119639477
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353697
1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122084742
1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
CID 139001876
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 99777369) is (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is AENJMSTZIRUMRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-11(8-10)22-7-5-13(20-22)19-14(24)21-6-4-12(23)9-21/h1-3,5,7-8,12,23H,4,6,9H2,(H,19,20,24)/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99777369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).