3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C17H15N3O2 — CID 135555084

IUPAC3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-11-6-8-12(9-7-11)18-17(22)15-10-14(19-20-15)13-4-2-3-5-16(13)21/h2-10,21H,1H3,(H,18,22)(H,19,20)
InChIKeyAXXYJKJQBHEJOO-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds3

About 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135555084) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135555084
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-11-6-8-12(9-7-11)18-17(22)15-10-14(19-20-15)13-4-2-3-5-16(13)21/h2-10,21H,1H3,(H,18,22)(H,19,20)
InChIKeyAXXYJKJQBHEJOO-UHFFFAOYSA-N
XLogP3.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039802
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2036050
3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 4860087
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 135675399
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 135555084) is 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AXXYJKJQBHEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-6-8-12(9-7-11)18-17(22)15-10-14(19-20-15)13-4-2-3-5-16(13)21/h2-10,21H,1H3,(H,18,22)(H,19,20).
What are the key properties of 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).