1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole

C22H24N2O — CID 71566841

IUPAC1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(C2CCCCC2)n1
InChIInChI=1S/C22H24N2O/c1-25-22-15-9-8-14-19(22)20-16-21(17-10-4-2-5-11-17)24(23-20)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3
InChIKeyQPFCONYQOWQCSQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.73
Rot. Bonds4

About 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole

1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole (PubChem CID 71566841) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
PubChem CID71566841
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(C2CCCCC2)n1
InChIInChI=1S/C22H24N2O/c1-25-22-15-9-8-14-19(22)20-16-21(17-10-4-2-5-11-17)24(23-20)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3
InChIKeyQPFCONYQOWQCSQ-UHFFFAOYSA-N
XLogP5.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole?
The IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole (CID 71566841) is 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole is COc1ccccc1-c1cc(-c2ccccc2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole?
The InChIKey is QPFCONYQOWQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-25-22-15-9-8-14-19(22)20-16-21(17-10-4-2-5-11-17)24(23-20)18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole?
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole has a molecular weight of 332.45 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole is sourced from PubChem (CID 71566841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).