(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide

C24H24F4N4O4 — CID 144542878

IUPAC(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1cc(N2N=C(NC(=O)[C@@H]3CNC(=O)C3)CC2c2cccc(OC(F)(F)F)c2)ccc1F
InChIInChI=1S/C24H24F4N4O4/c1-2-8-35-20-11-16(6-7-18(20)25)32-19(14-4-3-5-17(9-14)36-24(26,27)28)12-21(31-32)30-23(34)15-10-22(33)29-13-15/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3,(H,29,33)(H,30,31,34)/t15-,19?/m0/s1
InChIKeyCTWZWFKVDWVCPT-FUKCDUGKSA-N
MW508.47 g/mol
LogP4.03
Rot. Bonds7

About (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 144542878) has the molecular formula C24H24F4N4O4 and a molecular weight of 508.47 g/mol. Its IUPAC name is (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID144542878
Molecular FormulaC24H24F4N4O4
Molecular Weight508.47 g/mol
Exact Mass508.17
IUPAC Name(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1cc(N2N=C(NC(=O)[C@@H]3CNC(=O)C3)CC2c2cccc(OC(F)(F)F)c2)ccc1F
InChIInChI=1S/C24H24F4N4O4/c1-2-8-35-20-11-16(6-7-18(20)25)32-19(14-4-3-5-17(9-14)36-24(26,27)28)12-21(31-32)30-23(34)15-10-22(33)29-13-15/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3,(H,29,33)(H,30,31,34)/t15-,19?/m0/s1
InChIKeyCTWZWFKVDWVCPT-FUKCDUGKSA-N
XLogP4.03
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-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

Related Compounds

(3S)-N-[1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476956
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476607
5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 162540510
(3R)-N-[1-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90657003
[1-(3-butan-2-yloxy-4-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-[(3S)-5-oxopyrrolidine-3-carbonyl]azanium
CID 144543044
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
CID 89476909
(3R)-5-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90657001
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
(3S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436537
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 131946358

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 144542878) is (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide is CCCOc1cc(N2N=C(NC(=O)[C@@H]3CNC(=O)C3)CC2c2cccc(OC(F)(F)F)c2)ccc1F.
What is the InChIKey of (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CTWZWFKVDWVCPT-FUKCDUGKSA-N. The full InChI is InChI=1S/C24H24F4N4O4/c1-2-8-35-20-11-16(6-7-18(20)25)32-19(14-4-3-5-17(9-14)36-24(26,27)28)12-21(31-32)30-23(34)15-10-22(33)29-13-15/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3,(H,29,33)(H,30,31,34)/t15-,19?/m0/s1.
What are the key properties of (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 508.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-fluoro-3-propoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrazol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 144542878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).