5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole

C26H26N2O — CID 166627944

IUPAC5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)[nH]n2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)22-13-9-19(10-14-22)18-5-7-20(8-6-18)24-17-25(28-27-24)21-11-15-23(29-4)16-12-21/h5-17H,1-4H3,(H,27,28)
InChIKeyHKDBXIBAXQZUSN-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.72
Rot. Bonds4

About 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole

5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 166627944) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID166627944
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)[nH]n2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)22-13-9-19(10-14-22)18-5-7-20(8-6-18)24-17-25(28-27-24)21-11-15-23(29-4)16-12-21/h5-17H,1-4H3,(H,27,28)
InChIKeyHKDBXIBAXQZUSN-UHFFFAOYSA-N
XLogP6.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 67534335
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 2782546
7-(4-tert-butylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442478
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
1-[4-(dimethylamino)phenyl]ethanone;4-methoxybenzoyl chloride;4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 160572300

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole (CID 166627944) is 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)[nH]n2)cc1.
What is the InChIKey of 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is HKDBXIBAXQZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-26(2,3)22-13-9-19(10-14-22)18-5-7-20(8-6-18)24-17-25(28-27-24)21-11-15-23(29-4)16-12-21/h5-17H,1-4H3,(H,27,28).
What are the key properties of 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 382.51 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 166627944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).