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

C13H15N3O — CID 19346010

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-11(7-9)13(17)14-12-8-16(3)15-10(12)2/h4-8H,1-3H3,(H,14,17)
InChIKeyABVNZWRETCHPGH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds2

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

N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide (PubChem CID 19346010) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
PubChem CID19346010
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C13H15N3O/c1-9-5-4-6-11(7-9)13(17)14-12-8-16(3)15-10(12)2/h4-8H,1-3H3,(H,14,17)
InChIKeyABVNZWRETCHPGH-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
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
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide (CID 19346010) is N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cn(C)nc2C)c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide?
The InChIKey is ABVNZWRETCHPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-5-4-6-11(7-9)13(17)14-12-8-16(3)15-10(12)2/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide?
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide is sourced from PubChem (CID 19346010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).