1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C21H18N6O2 — CID 108760980

IUPAC1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H18N6O2/c22-11-17-12-24-27(18-8-4-5-9-23-18)20(17)25-21(29)16-10-19(28)26(14-16)13-15-6-2-1-3-7-15/h1-9,12,16H,10,13-14H2,(H,25,29)
InChIKeyGHXRICLYFXLUNA-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.13
Rot. Bonds5

About 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108760980) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108760980
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H18N6O2/c22-11-17-12-24-27(18-8-4-5-9-23-18)20(17)25-21(29)16-10-19(28)26(14-16)13-15-6-2-1-3-7-15/h1-9,12,16H,10,13-14H2,(H,25,29)
InChIKeyGHXRICLYFXLUNA-UHFFFAOYSA-N
XLogP2.13
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108760984
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 86913721
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
1-benzyl-N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108923152
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 124617392
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552482
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 108760980) is 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cnn(-c2ccccn2)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GHXRICLYFXLUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-11-17-12-24-27(18-8-4-5-9-23-18)20(17)25-21(29)16-10-19(28)26(14-16)13-15-6-2-1-3-7-15/h1-9,12,16H,10,13-14H2,(H,25,29).
What are the key properties of 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108760980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).