3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

C15H16N4O — CID 35324088

IUPAC3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O/c1-11(2)10-19-14(6-7-17-19)18-15(20)13-5-3-4-12(8-13)9-16/h3-8,11H,10H2,1-2H3,(H,18,20)
InChIKeyKHOKLARRCXXDAG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds4

About 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (PubChem CID 35324088) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
PubChem CID35324088
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O/c1-11(2)10-19-14(6-7-17-19)18-15(20)13-5-3-4-12(8-13)9-16/h3-8,11H,10H2,1-2H3,(H,18,20)
InChIKeyKHOKLARRCXXDAG-UHFFFAOYSA-N
XLogP2.66
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (CID 35324088) is 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is CC(C)Cn1nccc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The InChIKey is KHOKLARRCXXDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(2)10-19-14(6-7-17-19)18-15(20)13-5-3-4-12(8-13)9-16/h3-8,11H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 35324088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).