3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid

C12H11FN2O3 — CID 117378395

IUPAC3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(F)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H11FN2O3/c1-6-7(13)3-4-10(18-2)11(6)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFSAMNFNBOOHIMJ-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.23
Rot. Bonds3

About 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117378395) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117378395
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(F)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H11FN2O3/c1-6-7(13)3-4-10(18-2)11(6)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFSAMNFNBOOHIMJ-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(2,3-difluoro-5,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117457469
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136942196
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-[2-(dimethylamino)-3,6-difluorophenyl]-1H-pyrazole-5-carboxylic acid
CID 115111350
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(4-fluoro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378382
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136992111

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117378395) is 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(F)c(C)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FSAMNFNBOOHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6-7(13)3-4-10(18-2)11(6)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117378395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).