4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid

C17H20N2O3 — CID 117232941

IUPAC4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
SMILESCc1cccc(-n2ncc(OC3CCCCC3)c2C(=O)O)c1
InChIInChI=1S/C17H20N2O3/c1-12-6-5-7-13(10-12)19-16(17(20)21)15(11-18-19)22-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,20,21)
InChIKeyXEZQEMLWZXCRAU-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.59
Rot. Bonds4

About 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid

4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 117232941) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID117232941
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
SMILESCc1cccc(-n2ncc(OC3CCCCC3)c2C(=O)O)c1
InChIInChI=1S/C17H20N2O3/c1-12-6-5-7-13(10-12)19-16(17(20)21)15(11-18-19)22-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,20,21)
InChIKeyXEZQEMLWZXCRAU-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974
1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354409
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid (CID 117232941) is 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid is Cc1cccc(-n2ncc(OC3CCCCC3)c2C(=O)O)c1.
What is the InChIKey of 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is XEZQEMLWZXCRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-6-5-7-13(10-12)19-16(17(20)21)15(11-18-19)22-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,20,21).
What are the key properties of 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid?
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).