5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid

C17H20N2O3 — CID 117484177

IUPAC5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C17H20N2O3/c1-11-6-5-9-15(22-12-7-3-4-8-12)16(11)14-10-13(17(20)21)18-19(14)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyYAZDZCAGAHTKKD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.42
Rot. Bonds4

About 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117484177) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117484177
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C17H20N2O3/c1-11-6-5-9-15(22-12-7-3-4-8-12)16(11)14-10-13(17(20)21)18-19(14)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyYAZDZCAGAHTKKD-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117463524
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115107937
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089
5-(6-fluoro-2-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414677
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-(2-bromo-6-pyrrolidin-1-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 115111492
5-(6-bromo-2,3-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117493941
1-methyl-5-(4-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985802
4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
CID 117444524
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
4-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117399562

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 117484177) is 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid is Cc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)nn1C.
What is the InChIKey of 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is YAZDZCAGAHTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-6-5-9-15(22-12-7-3-4-8-12)16(11)14-10-13(17(20)21)18-19(14)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117484177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).