N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide

C17H18ClN5O3 — CID 87039522

IUPACN'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
SMILESO=C(NCC(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C17H18ClN5O3/c18-12-5-3-6-13(15(12)23-10-4-7-20-23)21-17(26)16(25)19-11-14(24)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,19,25)(H,21,26)
InChIKeyUBQYQMSKSXJWDX-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.20
Rot. Bonds4

About N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide

N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide (PubChem CID 87039522) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
PubChem CID87039522
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
SMILESO=C(NCC(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C17H18ClN5O3/c18-12-5-3-6-13(15(12)23-10-4-7-20-23)21-17(26)16(25)19-11-14(24)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,19,25)(H,21,26)
InChIKeyUBQYQMSKSXJWDX-UHFFFAOYSA-N
XLogP1.20
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 47251954
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5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
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2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
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CID 80617639
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide?
The IUPAC name of N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide (CID 87039522) is N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide is O=C(NCC(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide?
The InChIKey is UBQYQMSKSXJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c18-12-5-3-6-13(15(12)23-10-4-7-20-23)21-17(26)16(25)19-11-14(24)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,19,25)(H,21,26).
What are the key properties of N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide?
N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide has a molecular weight of 375.82 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide is sourced from PubChem (CID 87039522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).