3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C17H20N2O3 — CID 117484165

IUPAC3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C2CCCCC2)cc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C17H20N2O3/c1-22-16-8-7-12(11-5-3-2-4-6-11)9-13(16)14-10-15(17(20)21)19-18-14/h7-11H,2-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyPECYNQLSGGBGHE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.83
Rot. Bonds4

About 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117484165) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117484165
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C2CCCCC2)cc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C17H20N2O3/c1-22-16-8-7-12(11-5-3-2-4-6-11)9-13(16)14-10-15(17(20)21)19-18-14/h7-11H,2-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyPECYNQLSGGBGHE-UHFFFAOYSA-N
XLogP3.83
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-(2-cyclobutyloxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117465689
5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484183
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
4-cyclohexylbicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboxylic acid
CID 21484415
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449673
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117484165) is 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(C2CCCCC2)cc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PECYNQLSGGBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-16-8-7-12(11-5-3-2-4-6-11)9-13(16)14-10-15(17(20)21)19-18-14/h7-11H,2-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117484165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).