(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C19H22ClN5OS — CID 120929702

IUPAC(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)c(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl
InChIInChI=1S/C19H21N5OS.ClH/c1-12-22-17(13-6-4-3-5-7-13)19(26-12)23-18(25)16-10-20-9-15(16)14-8-21-24(2)11-14;/h3-8,11,15-16,20H,9-10H2,1-2H3,(H,23,25);1H/t15-,16+;/m1./s1
InChIKeyQOCUMJMBFDIYGV-RCPFAERMSA-N
MW403.94 g/mol
LogP3.22
Rot. Bonds4

About (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120929702) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120929702
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC Name(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)c(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl
InChIInChI=1S/C19H21N5OS.ClH/c1-12-22-17(13-6-4-3-5-7-13)19(26-12)23-18(25)16-10-20-9-15(16)14-8-21-24(2)11-14;/h3-8,11,15-16,20H,9-10H2,1-2H3,(H,23,25);1H/t15-,16+;/m1./s1
InChIKeyQOCUMJMBFDIYGV-RCPFAERMSA-N
XLogP3.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride 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)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120929702) is (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is Cc1nc(-c2ccccc2)c(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl.
What is the InChIKey of (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QOCUMJMBFDIYGV-RCPFAERMSA-N. The full InChI is InChI=1S/C19H21N5OS.ClH/c1-12-22-17(13-6-4-3-5-7-13)19(26-12)23-18(25)16-10-20-9-15(16)14-8-21-24(2)11-14;/h3-8,11,15-16,20H,9-10H2,1-2H3,(H,23,25);1H/t15-,16+;/m1./s1.
What are the key properties of (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120929702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).