(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C19H21F3N4O2 — CID 89476544

IUPAC(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c1-2-4-12-5-3-6-13(7-12)15-9-16(25-26(15)11-19(20,21)22)24-18(28)14-8-17(27)23-10-14/h3,5-7,9,14H,2,4,8,10-11H2,1H3,(H,23,27)(H,24,25,28)/t14-/m1/s1
InChIKeyFWZXETJEJCEDFK-CQSZACIVSA-N
MW394.40 g/mol
LogP3.14
Rot. Bonds6

About (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476544) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476544
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c1-2-4-12-5-3-6-13(7-12)15-9-16(25-26(15)11-19(20,21)22)24-18(28)14-8-17(27)23-10-14/h3,5-7,9,14H,2,4,8,10-11H2,1H3,(H,23,27)(H,24,25,28)/t14-/m1/s1
InChIKeyFWZXETJEJCEDFK-CQSZACIVSA-N
XLogP3.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476544) is (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC(F)(F)F)c1.
What is the InChIKey of (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is FWZXETJEJCEDFK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-2-4-12-5-3-6-13(7-12)15-9-16(25-26(15)11-19(20,21)22)24-18(28)14-8-17(27)23-10-14/h3,5-7,9,14H,2,4,8,10-11H2,1H3,(H,23,27)(H,24,25,28)/t14-/m1/s1.
What are the key properties of (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).