4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C12H13N3O2 — CID 113357499

IUPAC4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(O)c(C)c2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-7-5-9(3-4-10(7)16)12(17)13-11-6-8(2)14-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyKFBNUZZSAMUBHW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds2

About 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 113357499) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID113357499
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(O)c(C)c2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-7-5-9(3-4-10(7)16)12(17)13-11-6-8(2)14-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyKFBNUZZSAMUBHW-UHFFFAOYSA-N
XLogP1.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(5-methyl-1H-pyrazol-3-yl)pyridazine-4-carboxamide
CID 115736164
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 113357499) is 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(O)c(C)c2)n[nH]1.
What is the InChIKey of 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is KFBNUZZSAMUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-5-9(3-4-10(7)16)12(17)13-11-6-8(2)14-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113357499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).