5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole

C16H19ClN2O — CID 117232974

IUPAC5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1ncc(OC2CCCCC2)c1Cl
InChIInChI=1S/C16H19ClN2O/c1-12-7-5-6-10-14(12)19-16(17)15(11-18-19)20-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3
InChIKeyBIUUZLITKCNTCR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.55
Rot. Bonds3

About 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole

5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole (PubChem CID 117232974) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
PubChem CID117232974
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1ncc(OC2CCCCC2)c1Cl
InChIInChI=1S/C16H19ClN2O/c1-12-7-5-6-10-14(12)19-16(17)15(11-18-19)20-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3
InChIKeyBIUUZLITKCNTCR-UHFFFAOYSA-N
XLogP4.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole?
The IUPAC name of 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole (CID 117232974) is 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1ncc(OC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole?
The InChIKey is BIUUZLITKCNTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12-7-5-6-10-14(12)19-16(17)15(11-18-19)20-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3.
What are the key properties of 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole?
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole has a molecular weight of 290.79 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 117232974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).