5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

C17H20N2O3 — CID 117484183

IUPAC5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(C2CCCC2)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C17H20N2O3/c1-19-15(10-14(18-19)17(20)21)13-9-12(7-8-16(13)22-2)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,20,21)
InChIKeyYCBJWMZZEQWCHQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.45
Rot. Bonds4

About 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117484183) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117484183
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(C2CCCC2)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C17H20N2O3/c1-19-15(10-14(18-19)17(20)21)13-9-12(7-8-16(13)22-2)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,20,21)
InChIKeyYCBJWMZZEQWCHQ-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199
5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117491526
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117484165
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998006
4-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117431595
5-(2-fluoro-3-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414686
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 117484183) is 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is COc1ccc(C2CCCC2)cc1-c1cc(C(=O)O)nn1C.
What is the InChIKey of 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is YCBJWMZZEQWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19-15(10-14(18-19)17(20)21)13-9-12(7-8-16(13)22-2)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,20,21).
What are the key properties of 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117484183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).