3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C11H8F2N2O4 — CID 136992111

IUPAC3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(F)cc(F)c(O)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H8F2N2O4/c1-19-10-5(13)2-4(12)9(16)8(10)6-3-7(11(17)18)15-14-6/h2-3,16H,1H3,(H,14,15)(H,17,18)
InChIKeyJPBICPZPPGLQAQ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.77
Rot. Bonds3

About 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136992111) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136992111
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(F)cc(F)c(O)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H8F2N2O4/c1-19-10-5(13)2-4(12)9(16)8(10)6-3-7(11(17)18)15-14-6/h2-3,16H,1H3,(H,14,15)(H,17,18)
InChIKeyJPBICPZPPGLQAQ-UHFFFAOYSA-N
XLogP1.77
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoro-5,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117457469
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136942196
3-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117458093
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117454126
3-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136995060
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-[2-(dimethylamino)-3,6-difluorophenyl]-1H-pyrazole-5-carboxylic acid
CID 115111350
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136932431

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136992111) is 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1c(F)cc(F)c(O)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is JPBICPZPPGLQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c1-19-10-5(13)2-4(12)9(16)8(10)6-3-7(11(17)18)15-14-6/h2-3,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 270.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136992111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).