2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile

C17H16N4O — CID 166457794

IUPAC2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
SMILESCC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyGSMVFOHKRLBEKG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile

2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile (PubChem CID 166457794) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
PubChem CID166457794
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
SMILESCC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22)
InChIKeyGSMVFOHKRLBEKG-UHFFFAOYSA-N
XLogP2.57
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile (CID 166457794) is 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile is CC(C)(C#N)n1cc(Cc2cc3ccccc3[nH]c2=O)cn1.
What is the InChIKey of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
The InChIKey is GSMVFOHKRLBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-17(2,11-18)21-10-12(9-19-21)7-14-8-13-5-3-4-6-15(13)20-16(14)22/h3-6,8-10H,7H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile?
2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile has a molecular weight of 292.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 166457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).