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

C12H12N2O3 — CID 117336070

IUPAC3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(C)cccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-8(11(7)17-2)9-6-10(12(15)16)14-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQMOJUUZRZSTSIN-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.09
Rot. Bonds3

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

3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117336070) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117336070
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1c(C)cccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-8(11(7)17-2)9-6-10(12(15)16)14-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQMOJUUZRZSTSIN-UHFFFAOYSA-N
XLogP2.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465689
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
3-(2,3-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117474782
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117463567
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117336070) is 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is COc1c(C)cccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is QMOJUUZRZSTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-4-3-5-8(11(7)17-2)9-6-10(12(15)16)14-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117336070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).