N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C18H18N4O — CID 15944134

IUPACN-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1
InChIInChI=1S/C18H18N4O/c1-3-14-7-6-8-15(11-14)21-18(23)16-12-20-22(13(16)2)17-9-4-5-10-19-17/h4-12H,3H2,1-2H3,(H,21,23)
InChIKeyJGLJWFBKXFLKRW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.39
Rot. Bonds4

About N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 15944134) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID15944134
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1
InChIInChI=1S/C18H18N4O/c1-3-14-7-6-8-15(11-14)21-18(23)16-12-20-22(13(16)2)17-9-4-5-10-19-17/h4-12H,3H2,1-2H3,(H,21,23)
InChIKeyJGLJWFBKXFLKRW-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 108748742
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108805329
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 15944134) is N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is JGLJWFBKXFLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-14-7-6-8-15(11-14)21-18(23)16-12-20-22(13(16)2)17-9-4-5-10-19-17/h4-12H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 15944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).