(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C23H22F2N4O2 — CID 89476545

IUPAC(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H22F2N4O2/c1-2-23(24,25)17-8-6-7-15(11-17)19-13-20(27-22(31)16-12-21(30)26-14-16)28-29(19)18-9-4-3-5-10-18/h3-11,13,16H,2,12,14H2,1H3,(H,26,30)(H,27,28,31)/t16-/m0/s1
InChIKeyQDDAIENJQSSXCW-INIZCTEOSA-N
MW424.45 g/mol
LogP4.12
Rot. Bonds6

About (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476545) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476545
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H22F2N4O2/c1-2-23(24,25)17-8-6-7-15(11-17)19-13-20(27-22(31)16-12-21(30)26-14-16)28-29(19)18-9-4-3-5-10-18/h3-11,13,16H,2,12,14H2,1H3,(H,26,30)(H,27,28,31)/t16-/m0/s1
InChIKeyQDDAIENJQSSXCW-INIZCTEOSA-N
XLogP4.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide 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 (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476545) is (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1.
What is the InChIKey of (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QDDAIENJQSSXCW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-2-23(24,25)17-8-6-7-15(11-17)19-13-20(27-22(31)16-12-21(30)26-14-16)28-29(19)18-9-4-3-5-10-18/h3-11,13,16H,2,12,14H2,1H3,(H,26,30)(H,27,28,31)/t16-/m0/s1.
What are the key properties of (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).