5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C19H18N4O2S — CID 96572585

IUPAC5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)s1
InChIInChI=1S/C19H18N4O2S/c1-12-7-8-17(26-12)15-10-16(22-21-15)19(25)20-13-9-18(24)23(11-13)14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyZTBKGJYXBAAEBF-CYBMUJFWSA-N
MW366.45 g/mol
LogP2.98
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96572585) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96572585
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)s1
InChIInChI=1S/C19H18N4O2S/c1-12-7-8-17(26-12)15-10-16(22-21-15)19(25)20-13-9-18(24)23(11-13)14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeyZTBKGJYXBAAEBF-CYBMUJFWSA-N
XLogP2.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-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

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 95719498
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
1-[(5-methylthiophen-2-yl)methyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97201749
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
CID 72904842
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 6869533
5-(furan-2-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95985082
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96572585) is 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZTBKGJYXBAAEBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-7-8-17(26-12)15-10-16(22-21-15)19(25)20-13-9-18(24)23(11-13)14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,20,25)(H,21,22)/t13-/m1/s1.
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96572585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).