N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide

C13H15N3O — CID 113231423

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H15N3O/c1-8-6-4-5-7-11(8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyLPEWXZCHHBWEAY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide (PubChem CID 113231423) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
PubChem CID113231423
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C13H15N3O/c1-8-6-4-5-7-11(8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyLPEWXZCHHBWEAY-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 115609974
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 115594741

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide (CID 113231423) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
The InChIKey is LPEWXZCHHBWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-6-4-5-7-11(8)13(17)14-12-9(2)10(3)15-16-12/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide is sourced from PubChem (CID 113231423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).