N-(1-ethylpyrazol-4-yl)-2-methylbenzamide

C13H15N3O — CID 51078638

IUPACN-(1-ethylpyrazol-4-yl)-2-methylbenzamide
SMILESCCn1cc(NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C13H15N3O/c1-3-16-9-11(8-14-16)15-13(17)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyNJKAEQUXQBIFMV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-2-methylbenzamide

N-(1-ethylpyrazol-4-yl)-2-methylbenzamide (PubChem CID 51078638) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-methylbenzamide
PubChem CID51078638
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-methylbenzamide
SMILESCCn1cc(NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C13H15N3O/c1-3-16-9-11(8-14-16)15-13(17)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyNJKAEQUXQBIFMV-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
2-ethoxy-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340226
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
N-(1-ethylpyrazol-4-yl)-4-hydrazinylpyridine-3-carboxamide
CID 81255598
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methylbenzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methylbenzamide (CID 51078638) is N-(1-ethylpyrazol-4-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-methylbenzamide is CCn1cc(NC(=O)c2ccccc2C)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-methylbenzamide?
The InChIKey is NJKAEQUXQBIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-16-9-11(8-14-16)15-13(17)12-7-5-4-6-10(12)2/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-methylbenzamide?
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-methylbenzamide is sourced from PubChem (CID 51078638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).