N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C17H18N6O2 — CID 108760984

IUPACN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1=O
InChIInChI=1S/C17H18N6O2/c1-11(2)22-10-12(7-15(22)24)17(25)21-16-13(8-18)9-20-23(16)14-5-3-4-6-19-14/h3-6,9,11-12H,7,10H2,1-2H3,(H,21,25)
InChIKeyBIALTOORDSOEOO-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.33
Rot. Bonds4

About N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108760984) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108760984
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1=O
InChIInChI=1S/C17H18N6O2/c1-11(2)22-10-12(7-15(22)24)17(25)21-16-13(8-18)9-20-23(16)14-5-3-4-6-19-14/h3-6,9,11-12H,7,10H2,1-2H3,(H,21,25)
InChIKeyBIALTOORDSOEOO-UHFFFAOYSA-N
XLogP1.33
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-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

1-benzyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108760980
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
2-butan-2-yl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108760938
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
methyl 4-[(E)-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 108738023
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108760966

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108760984) is N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1=O.
What is the InChIKey of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BIALTOORDSOEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11(2)22-10-12(7-15(22)24)17(25)21-16-13(8-18)9-20-23(16)14-5-3-4-6-19-14/h3-6,9,11-12H,7,10H2,1-2H3,(H,21,25).
What are the key properties of N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108760984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).