N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide

C13H15N3O — CID 110857692

IUPACN-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1[nH]ncc1C
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)15-13(17)12-9(2)8-14-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJXNNYORKPYTIDC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.53
Rot. Bonds3

About N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide

N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 110857692) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID110857692
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1[nH]ncc1C
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)15-13(17)12-9(2)8-14-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJXNNYORKPYTIDC-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
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N-(2-ethylphenyl)-2,3-dimethylbenzamide
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N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
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CID 850891
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
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CID 17270131

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 110857692) is N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide is CCc1ccccc1NC(=O)c1[nH]ncc1C.
What is the InChIKey of N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JXNNYORKPYTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)15-13(17)12-9(2)8-14-16-12/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).