5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide

C21H23N5O2 — CID 108788833

IUPAC5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H23N5O2/c1-15-17(21(28)22-11-5-13-25-12-4-8-20(25)27)14-23-26(15)19-10-9-16-6-2-3-7-18(16)24-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,28)
InChIKeyJXOSBAPSZOPHBF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.47
Rot. Bonds6

About 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide

5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788833) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788833
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H23N5O2/c1-15-17(21(28)22-11-5-13-25-12-4-8-20(25)27)14-23-26(15)19-10-9-16-6-2-3-7-18(16)24-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,28)
InChIKeyJXOSBAPSZOPHBF-UHFFFAOYSA-N
XLogP2.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
1-(6-methoxypyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46407497
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788833) is 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is JXOSBAPSZOPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-17(21(28)22-11-5-13-25-12-4-8-20(25)27)14-23-26(15)19-10-9-16-6-2-3-7-18(16)24-19/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,28).
What are the key properties of 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).