N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide

C17H20N4O2 — CID 154868534

IUPACN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H20N4O2/c1-20(12-16(22)21-8-2-3-9-21)17(23)14-6-4-13(5-7-14)15-10-18-19-11-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,19)
InChIKeyVYEAFMZZYRAKMV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide

N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 154868534) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID154868534
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(CC(=O)N1CCCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H20N4O2/c1-20(12-16(22)21-8-2-3-9-21)17(23)14-6-4-13(5-7-14)15-10-18-19-11-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,19)
InChIKeyVYEAFMZZYRAKMV-UHFFFAOYSA-N
XLogP1.77
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 55567018
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide (CID 154868534) is N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide is CN(CC(=O)N1CCCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is VYEAFMZZYRAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(12-16(22)21-8-2-3-9-21)17(23)14-6-4-13(5-7-14)15-10-18-19-11-15/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,19).
What are the key properties of N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide?
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 154868534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).