N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

C16H17ClN4O2 — CID 56782238

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN4O2/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)7-9-20-8-3-6-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22)
InChIKeyMFGNKNZZIZFHIR-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.48
Rot. Bonds5

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 56782238) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID56782238
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN4O2/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)7-9-20-8-3-6-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22)
InChIKeyMFGNKNZZIZFHIR-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N'-(1-ethylpyrazol-4-yl)oxamide
CID 57523322
US10590075, Example 13
CID 129301849
US10590075, Example 12
CID 129301844
1-(2-chlorophenyl)-1H-pyrazol-4-amine
CID 43531693
1-[4-[1-(2-Chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 49191968
1-[4-[1-(2-Chlorophenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 49193245
[1-(2-Chlorophenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 49267773
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49279405
1-[1-(3-Chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 53512442
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(methanesulfonamido)propanamide
CID 53606969
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 53608410
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 53611817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 56782238) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is O=C(CCN1CCCC1=O)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is MFGNKNZZIZFHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-4-1-2-5-14(13)21-11-12(10-18-21)19-15(22)7-9-20-8-3-6-16(20)23/h1-2,4-5,10-11H,3,6-9H2,(H,19,22).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 332.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 56782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).