1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole

C28H30N2O3 — CID 10527185

IUPAC1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
SMILESCOc1ccc(-c2nn(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2CC(C)C)cc1
InChIInChI=1S/C28H30N2O3/c1-19(2)18-26-27(20-6-12-23(31-3)13-7-20)29-30(22-10-16-25(33-5)17-11-22)28(26)21-8-14-24(32-4)15-9-21/h6-17,19H,18H2,1-5H3
InChIKeyYILWMTDMOCXXIZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.43
Rot. Bonds8

About 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole

1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole (PubChem CID 10527185) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
PubChem CID10527185
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
SMILESCOc1ccc(-c2nn(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2CC(C)C)cc1
InChIInChI=1S/C28H30N2O3/c1-19(2)18-26-27(20-6-12-23(31-3)13-7-20)29-30(22-10-16-25(33-5)17-11-22)28(26)21-8-14-24(32-4)15-9-21/h6-17,19H,18H2,1-5H3
InChIKeyYILWMTDMOCXXIZ-UHFFFAOYSA-N
XLogP6.43
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol
CID 135430134
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19586800
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
CID 19586745
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
CID 132918864
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740429

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole?
The IUPAC name of 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole (CID 10527185) is 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole is COc1ccc(-c2nn(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2CC(C)C)cc1.
What is the InChIKey of 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole?
The InChIKey is YILWMTDMOCXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-19(2)18-26-27(20-6-12-23(31-3)13-7-20)29-30(22-10-16-25(33-5)17-11-22)28(26)21-8-14-24(32-4)15-9-21/h6-17,19H,18H2,1-5H3.
What are the key properties of 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole?
1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole has a molecular weight of 442.56 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 10527185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).