N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide

C13H12N4O3 — CID 112723818

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C13H12N4O3/c1-17-12(8(6-14)7-15-17)16-13(19)10-5-9(20-2)3-4-11(10)18/h3-5,7,18H,1-2H3,(H,16,19)
InChIKeyGYVOTASJJJINOP-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.26
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 112723818) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID112723818
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C13H12N4O3/c1-17-12(8(6-14)7-15-17)16-13(19)10-5-9(20-2)3-4-11(10)18/h3-5,7,18H,1-2H3,(H,16,19)
InChIKeyGYVOTASJJJINOP-UHFFFAOYSA-N
XLogP1.26
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
CID 79497143
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547
N-(4-cyano-1-methylpyrazol-5-yl)-2-fluoro-4-nitrobenzamide
CID 79496975
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
2-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 81453960
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide (CID 112723818) is N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2c(C#N)cnn2C)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is GYVOTASJJJINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-17-12(8(6-14)7-15-17)16-13(19)10-5-9(20-2)3-4-11(10)18/h3-5,7,18H,1-2H3,(H,16,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 272.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 112723818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).