(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

C19H20N6O3S — CID 51942518

IUPAC(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)=NN1c1ccccc1
InChIInChI=1S/C19H20N6O3S/c20-16(26)15-11-13(23-25(15)12-5-2-1-3-6-12)18(28)24-9-4-7-14(24)17(27)22-19-21-8-10-29-19/h1-3,5-6,8,10,14-15H,4,7,9,11H2,(H2,20,26)(H,21,22,27)/t14-,15+/m0/s1
InChIKeyGBOIEVDROMBINP-LSDHHAIUSA-N
MW412.48 g/mol
LogP1.19
Rot. Bonds5

About (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (PubChem CID 51942518) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
PubChem CID51942518
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)=NN1c1ccccc1
InChIInChI=1S/C19H20N6O3S/c20-16(26)15-11-13(23-25(15)12-5-2-1-3-6-12)18(28)24-9-4-7-14(24)17(27)22-19-21-8-10-29-19/h1-3,5-6,8,10,14-15H,4,7,9,11H2,(H2,20,26)(H,21,22,27)/t14-,15+/m0/s1
InChIKeyGBOIEVDROMBINP-LSDHHAIUSA-N
XLogP1.19
TPSA120.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-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)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51934177
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
CID 112814319
2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 42888150
1-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864862
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 42961197
(3R)-5-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 97185167
(2S)-1-(1H-indole-4-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 96569369
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (CID 51942518) is (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is NC(=O)[C@H]1CC(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)=NN1c1ccccc1.
What is the InChIKey of (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is GBOIEVDROMBINP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20N6O3S/c20-16(26)15-11-13(23-25(15)12-5-2-1-3-6-12)18(28)24-9-4-7-14(24)17(27)22-19-21-8-10-29-19/h1-3,5-6,8,10,14-15H,4,7,9,11H2,(H2,20,26)(H,21,22,27)/t14-,15+/m0/s1.
What are the key properties of (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 51942518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).