2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide

C17H19ClN4O2 — CID 97109112

IUPAC2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-3-14-15(10-21(2)20-14)19-17(24)12-9-11(6-7-13(12)18)22-8-4-5-16(22)23/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,24)
InChIKeySQMCCMIYZRMJJV-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 97109112) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID97109112
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1nn(C)cc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-3-14-15(10-21(2)20-14)19-17(24)12-9-11(6-7-13(12)18)22-8-4-5-16(22)23/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,24)
InChIKeySQMCCMIYZRMJJV-UHFFFAOYSA-N
XLogP3.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
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2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
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3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
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N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
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2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
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2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide (CID 97109112) is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide is CCc1nn(C)cc1NC(=O)c1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SQMCCMIYZRMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-3-14-15(10-21(2)20-14)19-17(24)12-9-11(6-7-13(12)18)22-8-4-5-16(22)23/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,24).
What are the key properties of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide?
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 346.82 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 97109112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).