1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

C19H17ClN4O2S — CID 56555835

IUPAC1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)n[nH]2)s1
InChIInChI=1S/C19H17ClN4O2S/c1-11-2-7-16(27-11)15-10-17(23-22-15)21-18(25)14-8-9-24(19(14)26)13-5-3-12(20)4-6-13/h2-7,10,14H,8-9H2,1H3,(H2,21,22,23,25)
InChIKeySMYRWNWRCZWEMW-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 56555835) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
PubChem CID56555835
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)n[nH]2)s1
InChIInChI=1S/C19H17ClN4O2S/c1-11-2-7-16(27-11)15-10-17(23-22-15)21-18(25)14-8-9-24(19(14)26)13-5-3-12(20)4-6-13/h2-7,10,14H,8-9H2,1H3,(H2,21,22,23,25)
InChIKeySMYRWNWRCZWEMW-UHFFFAOYSA-N
XLogP4.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-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

1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56552765
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166204360
1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 102557635
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56555581
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
(3R)-1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93059075
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
(3S)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330917
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92750593
1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide (CID 56555835) is 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)n[nH]2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SMYRWNWRCZWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-11-2-7-16(27-11)15-10-17(23-22-15)21-18(25)14-8-9-24(19(14)26)13-5-3-12(20)4-6-13/h2-7,10,14H,8-9H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56555835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).