3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide

C16H13N3O3 — CID 174927898

IUPAC3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(O)cc2O)nn1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c17-16(22)14-9-13(12-7-6-11(20)8-15(12)21)18-19(14)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,22)
InChIKeyCAHDEGGEMWGYNZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.05
Rot. Bonds3

About 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide

3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 174927898) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID174927898
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(O)cc2O)nn1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c17-16(22)14-9-13(12-7-6-11(20)8-15(12)21)18-19(14)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,22)
InChIKeyCAHDEGGEMWGYNZ-UHFFFAOYSA-N
XLogP2.05
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 174927871
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide
CID 174205540
1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
3-(2,5-difluorophenyl)-1-phenylpyrazole-5-carboxylic acid
CID 82370998
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide
CID 144992290
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide (CID 174927898) is 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide is NC(=O)c1cc(-c2ccc(O)cc2O)nn1-c1ccccc1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is CAHDEGGEMWGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-16(22)14-9-13(12-7-6-11(20)8-15(12)21)18-19(14)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,22).
What are the key properties of 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide?
3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 174927898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).