1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid

C16H24N2O3 — CID 117233178

IUPAC1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCCC2)cnn1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-16(20)15-14(21-13-9-5-2-6-10-13)11-17-18(15)12-7-3-1-4-8-12/h11-13H,1-10H2,(H,19,20)
InChIKeyWOPUZRAQIFAGEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.80
Rot. Bonds4

About 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid

1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid (PubChem CID 117233178) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
PubChem CID117233178
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCCC2)cnn1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-16(20)15-14(21-13-9-5-2-6-10-13)11-17-18(15)12-7-3-1-4-8-12/h11-13H,1-10H2,(H,19,20)
InChIKeyWOPUZRAQIFAGEP-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 117231819
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117232013
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
CID 117232476
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
1-(1,1-dioxothiolan-3-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117231837
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid (CID 117233178) is 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid is O=C(O)c1c(OC2CCCCC2)cnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid?
The InChIKey is WOPUZRAQIFAGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16(20)15-14(21-13-9-5-2-6-10-13)11-17-18(15)12-7-3-1-4-8-12/h11-13H,1-10H2,(H,19,20).
What are the key properties of 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid?
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117233178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).