N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide

C13H15N3O — CID 6464324

IUPACN-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)15-13(17)12-8-9-14-16(12)2/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyIHLOFCSIYOCKQD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.23
Rot. Bonds3

About N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide

N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 6464324) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID6464324
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)15-13(17)12-8-9-14-16(12)2/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyIHLOFCSIYOCKQD-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
N-[(6R)-6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpyrazole-3-carboxamide
CID 28721615
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide (CID 6464324) is N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide is CCc1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is IHLOFCSIYOCKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)15-13(17)12-8-9-14-16(12)2/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6464324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).