1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid

C10H8N2O3 — CID 18313773

IUPAC1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(O)c2)c1
InChIInChI=1S/C10H8N2O3/c13-9-3-1-2-8(4-9)12-6-7(5-11-12)10(14)15/h1-6,13H,(H,14,15)
InChIKeyWZYLLWZVEZZUFL-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid

1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 18313773) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid
PubChem CID18313773
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(O)c2)c1
InChIInChI=1S/C10H8N2O3/c13-9-3-1-2-8(4-9)12-6-7(5-11-12)10(14)15/h1-6,13H,(H,14,15)
InChIKeyWZYLLWZVEZZUFL-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
1-(3-Cyano-4-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid
CID 44382675
N-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-N'-(3-hydroxyphenyl)thiourea
CID 842080
1-(4-Isobutoxy-phenyl)-1H-pyrazole-4-carboxylic acid
CID 44382632
2-(1H-Pyrazol-1-yl)-1,4-benzenediol
CID 371596
1-(4-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 11665695
1-(2-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 40428274
3-(1H-pyrazol-1-yl)phenol
CID 54592959
N-cyclopentyl-1-(3-hydroxyphenyl)pyrazole-4-carboxamide
CID 172443737
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)phenol
CID 64437788
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 28742932
4-(4-methyl-1H-pyrazol-1-yl)phenol
CID 64435436

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid (CID 18313773) is 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(O)c2)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is WZYLLWZVEZZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9-3-1-2-8(4-9)12-6-7(5-11-12)10(14)15/h1-6,13H,(H,14,15).
What are the key properties of 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid?
1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 18313773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).