2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H22N4O3 — CID 30589393

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H22N4O3/c1-15-21(16(2)27(25-15)17-9-4-3-5-10-17)22(29)23(30)24-18-11-6-7-12-19(18)26-14-8-13-20(26)28/h3-7,9-12H,8,13-14H2,1-2H3,(H,24,30)
InChIKeyQQWMWLBGKNOHJY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.44
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30589393) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30589393
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C23H22N4O3/c1-15-21(16(2)27(25-15)17-9-4-3-5-10-17)22(29)23(30)24-18-11-6-7-12-19(18)26-14-8-13-20(26)28/h3-7,9-12H,8,13-14H2,1-2H3,(H,24,30)
InChIKeyQQWMWLBGKNOHJY-UHFFFAOYSA-N
XLogP3.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 46692727
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-5-fluoro-4-methylbenzamide
CID 55784945
2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55493349
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
(E)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26955793
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pent-2-enamide
CID 76885109
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30589393) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is QQWMWLBGKNOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-21(16(2)27(25-15)17-9-4-3-5-10-17)22(29)23(30)24-18-11-6-7-12-19(18)26-14-8-13-20(26)28/h3-7,9-12H,8,13-14H2,1-2H3,(H,24,30).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30589393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).