3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C11H9FN2O4 — CID 136942196

IUPAC3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(F)cc(O)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9FN2O4/c1-18-9-3-5(12)2-8(15)10(9)6-4-7(11(16)17)14-13-6/h2-4,15H,1H3,(H,13,14)(H,16,17)
InChIKeyJDRVJRSTBVRGDA-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.63
Rot. Bonds3

About 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136942196) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136942196
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(F)cc(O)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9FN2O4/c1-18-9-3-5(12)2-8(15)10(9)6-4-7(11(16)17)14-13-6/h2-4,15H,1H3,(H,13,14)(H,16,17)
InChIKeyJDRVJRSTBVRGDA-UHFFFAOYSA-N
XLogP1.63
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(2,3-difluoro-5,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117457469
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136992111
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(4-fluoro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378382
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137007277
3-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117454126
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136966405

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136942196) is 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(F)cc(O)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is JDRVJRSTBVRGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-18-9-3-5(12)2-8(15)10(9)6-4-7(11(16)17)14-13-6/h2-4,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 252.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136942196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).