(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C23H22F4N4O3S — CID 144826338

IUPAC(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)[C@@H]1CCCN1S(=O)c1cccc(F)c1
InChIInChI=1S/C23H22F4N4O3S/c1-34-22-15(14-30(29-22)18-9-7-16(8-10-18)23(25,26)27)13-28-21(32)20-6-3-11-31(20)35(33)19-5-2-4-17(24)12-19/h2,4-5,7-10,12,14,20H,3,6,11,13H2,1H3,(H,28,32)/t20-,35?/m0/s1
InChIKeyQCPYYXBJDZQHSX-RVOXPHBASA-N
MW510.51 g/mol
LogP3.84
Rot. Bonds7

About (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144826338) has the molecular formula C23H22F4N4O3S and a molecular weight of 510.51 g/mol. Its IUPAC name is (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID144826338
Molecular FormulaC23H22F4N4O3S
Molecular Weight510.51 g/mol
Exact Mass510.13
IUPAC Name(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)[C@@H]1CCCN1S(=O)c1cccc(F)c1
InChIInChI=1S/C23H22F4N4O3S/c1-34-22-15(14-30(29-22)18-9-7-16(8-10-18)23(25,26)27)13-28-21(32)20-6-3-11-31(20)35(33)19-5-2-4-17(24)12-19/h2,4-5,7-10,12,14,20H,3,6,11,13H2,1H3,(H,28,32)/t20-,35?/m0/s1
InChIKeyQCPYYXBJDZQHSX-RVOXPHBASA-N
XLogP3.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-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

N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-1-(4-fluorophenyl)sulfinylpyrrolidine-2-carboxamide
CID 144826779
4-cyano-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 123288997
N-[[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-1-(4-cyanophenyl)sulfanylpyrrolidine-2-carboxamide
CID 144826646
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429498
1-(4-fluorophenyl)sulfinyl-N-(pyrimidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 144826659
(2S)-1-(4-fluorophenyl)sulfinyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 144826654
acetylene;(2S)-1-(4-fluorophenyl)sulfinyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 144826653
(2S)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94592974
(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55692824

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 144826338) is (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is COc1nn(-c2ccc(C(F)(F)F)cc2)cc1CNC(=O)[C@@H]1CCCN1S(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QCPYYXBJDZQHSX-RVOXPHBASA-N. The full InChI is InChI=1S/C23H22F4N4O3S/c1-34-22-15(14-30(29-22)18-9-7-16(8-10-18)23(25,26)27)13-28-21(32)20-6-3-11-31(20)35(33)19-5-2-4-17(24)12-19/h2,4-5,7-10,12,14,20H,3,6,11,13H2,1H3,(H,28,32)/t20-,35?/m0/s1.
What are the key properties of (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 510.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluorophenyl)sulfinyl-N-[[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144826338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).