N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide

C13H15N3O2 — CID 113358549

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn(C)nc2C)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-10(6-12(8)17)13(18)14-11-7-16(3)15-9(11)2/h4-7,17H,1-3H3,(H,14,18)
InChIKeyANSRGBRREFIKAK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide

N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide (PubChem CID 113358549) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
PubChem CID113358549
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn(C)nc2C)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-4-5-10(6-12(8)17)13(18)14-11-7-16(3)15-9(11)2/h4-7,17H,1-3H3,(H,14,18)
InChIKeyANSRGBRREFIKAK-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786
N-(1,3-dimethylpyrazol-4-yl)-6-pyridin-4-ylpyridine-3-carboxamide
CID 166318066

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide (CID 113358549) is N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2cn(C)nc2C)cc1O.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide?
The InChIKey is ANSRGBRREFIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-10(6-12(8)17)13(18)14-11-7-16(3)15-9(11)2/h4-7,17H,1-3H3,(H,14,18).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide?
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 113358549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).