N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide

C13H12N4O2 — CID 79503285

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1O
InChIInChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)18)13(19)16-12-10(6-14)7-15-17(12)2/h3-5,7,18H,1-2H3,(H,16,19)
InChIKeyQTTOIOCEAIDPFX-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.56
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide

N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide (PubChem CID 79503285) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
PubChem CID79503285
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1O
InChIInChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)18)13(19)16-12-10(6-14)7-15-17(12)2/h3-5,7,18H,1-2H3,(H,16,19)
InChIKeyQTTOIOCEAIDPFX-UHFFFAOYSA-N
XLogP1.56
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
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-hydroxy-5-methoxybenzamide
CID 112723818
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)-1,3-benzoxazole-5-carboxamide
CID 108806769
N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108737103
N-(4-cyano-1-methylpyrazol-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 108737053
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide (CID 79503285) is N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C#N)cnn2C)cc1O.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide?
The InChIKey is QTTOIOCEAIDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-3-4-9(5-11(8)18)13(19)16-12-10(6-14)7-15-17(12)2/h3-5,7,18H,1-2H3,(H,16,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide has a molecular weight of 256.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 79503285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).