(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide

C19H21N5OS — CID 120929303

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1
InChIInChI=1S/C19H21N5OS/c1-12-11-26-19(22-12)13-4-3-5-15(6-13)23-18(25)17-9-20-8-16(17)14-7-21-24(2)10-14/h3-7,10-11,16-17,20H,8-9H2,1-2H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyASGQHCHXWZHMPX-SJORKVTESA-N
MW367.48 g/mol
LogP2.79
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 120929303) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID120929303
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1
InChIInChI=1S/C19H21N5OS/c1-12-11-26-19(22-12)13-4-3-5-15(6-13)23-18(25)17-9-20-8-16(17)14-7-21-24(2)10-14/h3-7,10-11,16-17,20H,8-9H2,1-2H3,(H,23,25)/t16-,17+/m1/s1
InChIKeyASGQHCHXWZHMPX-SJORKVTESA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-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 (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide (CID 120929303) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide is Cc1csc(-c2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)n1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ASGQHCHXWZHMPX-SJORKVTESA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-11-26-19(22-12)13-4-3-5-15(6-13)23-18(25)17-9-20-8-16(17)14-7-21-24(2)10-14/h3-7,10-11,16-17,20H,8-9H2,1-2H3,(H,23,25)/t16-,17+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 120929303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).