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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Related Compounds

1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
CID 59007278
1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568812
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
1-[5-(1-cyclopentyl-3-phenylpyrazol-5-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 58955895
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585126
1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 20873580
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
CID 58282953
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964

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).