N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide

C14H14N4O — CID 112723715

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1C
InChIInChI=1S/C14H14N4O/c1-9-4-5-11(6-10(9)2)14(19)17-13-12(7-15)8-16-18(13)3/h4-6,8H,1-3H3,(H,17,19)
InChIKeyBNPXZKXDZHSWQM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.16
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide

N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide (PubChem CID 112723715) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
PubChem CID112723715
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1C
InChIInChI=1S/C14H14N4O/c1-9-4-5-11(6-10(9)2)14(19)17-13-12(7-15)8-16-18(13)3/h4-6,8H,1-3H3,(H,17,19)
InChIKeyBNPXZKXDZHSWQM-UHFFFAOYSA-N
XLogP2.16
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(4-cyano-1-methylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 112723801
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
CID 79497143
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-5-nitrobenzamide
CID 79497144
N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108737103
N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108806769
N-(4-cyano-1-methylpyrazol-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 108737053
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide (CID 112723715) is N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide?
The InChIKey is BNPXZKXDZHSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-4-5-11(6-10(9)2)14(19)17-13-12(7-15)8-16-18(13)3/h4-6,8H,1-3H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide has a molecular weight of 254.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 112723715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).