3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole

C23H28N2O2 — CID 174838857

IUPAC3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole
SMILESCCOc1cccc(-n2ccc(-c3ccc(C(C)(C)C)cc3)n2)c1OCC
InChIInChI=1S/C23H28N2O2/c1-6-26-21-10-8-9-20(22(21)27-7-2)25-16-15-19(24-25)17-11-13-18(14-12-17)23(3,4)5/h8-16H,6-7H2,1-5H3
InChIKeyIMLFAIUGCZAGBS-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.63
Rot. Bonds6

About 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole

3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole (PubChem CID 174838857) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole
PubChem CID174838857
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole
SMILESCCOc1cccc(-n2ccc(-c3ccc(C(C)(C)C)cc3)n2)c1OCC
InChIInChI=1S/C23H28N2O2/c1-6-26-21-10-8-9-20(22(21)27-7-2)25-16-15-19(24-25)17-11-13-18(14-12-17)23(3,4)5/h8-16H,6-7H2,1-5H3
InChIKeyIMLFAIUGCZAGBS-UHFFFAOYSA-N
XLogP5.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole (CID 174838857) is 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole is CCOc1cccc(-n2ccc(-c3ccc(C(C)(C)C)cc3)n2)c1OCC.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole?
The InChIKey is IMLFAIUGCZAGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-6-26-21-10-8-9-20(22(21)27-7-2)25-16-15-19(24-25)17-11-13-18(14-12-17)23(3,4)5/h8-16H,6-7H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole?
3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole has a molecular weight of 364.49 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(2,3-diethoxyphenyl)pyrazole is sourced from PubChem (CID 174838857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).