4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

C13H12N4O — CID 113227579

IUPAC4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C13H12N4O/c1-8-9(2)16-17-12(8)15-13(18)11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyJMYWJMYOHMWWIK-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.15
Rot. Bonds2

About 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide

4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113227579) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
PubChem CID113227579
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(C#N)cc2)c1C
InChIInChI=1S/C13H12N4O/c1-8-9(2)16-17-12(8)15-13(18)11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyJMYWJMYOHMWWIK-UHFFFAOYSA-N
XLogP2.15
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115610056
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 115609974
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-nitrobenzamide
CID 104864808
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide (CID 113227579) is 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is Cc1[nH]nc(NC(=O)c2ccc(C#N)cc2)c1C.
What is the InChIKey of 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JMYWJMYOHMWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-9(2)16-17-12(8)15-13(18)11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide?
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 240.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113227579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).