4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole

C24H22N2O — CID 10808049

IUPAC4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
SMILESCCc1c(-c2ccccc2)nn(-c2ccc(OC)cc2)c1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-3-22-23(18-10-6-4-7-11-18)25-26(20-14-16-21(27-2)17-15-20)24(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3
InChIKeyARMLGJTXBWNMFV-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.78
Rot. Bonds5

About 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole

4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole (PubChem CID 10808049) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole.

Molecular Properties

Compound Name4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
PubChem CID10808049
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
SMILESCCc1c(-c2ccccc2)nn(-c2ccc(OC)cc2)c1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-3-22-23(18-10-6-4-7-11-18)25-26(20-14-16-21(27-2)17-15-20)24(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3
InChIKeyARMLGJTXBWNMFV-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19586800
1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
CID 10527185
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
CID 132918864
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025723
4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
CID 19586745
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole?
The IUPAC name of 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole (CID 10808049) is 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole.
What is the SMILES notation for 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole?
The canonical SMILES for 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole is CCc1c(-c2ccccc2)nn(-c2ccc(OC)cc2)c1-c1ccccc1.
What is the InChIKey of 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole?
The InChIKey is ARMLGJTXBWNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-3-22-23(18-10-6-4-7-11-18)25-26(20-14-16-21(27-2)17-15-20)24(22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole?
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole has a molecular weight of 354.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole is sourced from PubChem (CID 10808049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).