3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane

C34H46N2 — CID 143781317

IUPAC3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane
SMILESCC.CC(C)C.CC(C)c1ccc(C2=NN=C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)C2)cc1
InChIInChI=1S/C28H30N2.C4H10.C2H6/c1-19(2)20-6-10-23(11-7-20)26-18-27(30-29-26)24-12-8-21(9-13-24)22-14-16-25(17-15-22)28(3,4)5;1-4(2)3;1-2/h6-17,19H,18H2,1-5H3;4H,1-3H3;1-2H3
InChIKeyUWFVQLFCTGBYBZ-UHFFFAOYSA-N
MW482.76 g/mol
LogP10.06
Rot. Bonds4

About 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane

3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane (PubChem CID 143781317) has the molecular formula C34H46N2 and a molecular weight of 482.76 g/mol. Its IUPAC name is 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane.

Molecular Properties

Compound Name3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane
PubChem CID143781317
Molecular FormulaC34H46N2
Molecular Weight482.76 g/mol
Exact Mass482.37
IUPAC Name3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane
SMILESCC.CC(C)C.CC(C)c1ccc(C2=NN=C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)C2)cc1
InChIInChI=1S/C28H30N2.C4H10.C2H6/c1-19(2)20-6-10-23(11-7-20)26-18-27(30-29-26)24-12-8-21(9-13-24)22-14-16-25(17-15-22)28(3,4)5;1-4(2)3;1-2/h6-17,19H,18H2,1-5H3;4H,1-3H3;1-2H3
InChIKeyUWFVQLFCTGBYBZ-UHFFFAOYSA-N
XLogP10.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
CID 20739257
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
8-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[f][2,1,3]benzothiadiazole
CID 156741800
5-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
2,3,6,7,10,11-hexakis(3-phenylphenyl)triphenylene;2,3,6,7,10,11-hexakis-phenyltriphenylene;2,3,6,7,10-pentakis(4-tert-butylphenyl)-11-(4-propan-2-ylphenyl)triphenylene
CID 162246061

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane?
The IUPAC name of 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane (CID 143781317) is 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane.
What is the SMILES notation for 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane?
The canonical SMILES for 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane is CC.CC(C)C.CC(C)c1ccc(C2=NN=C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)C2)cc1.
What is the InChIKey of 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane?
The InChIKey is UWFVQLFCTGBYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2.C4H10.C2H6/c1-19(2)20-6-10-23(11-7-20)26-18-27(30-29-26)24-12-8-21(9-13-24)22-14-16-25(17-15-22)28(3,4)5;1-4(2)3;1-2/h6-17,19H,18H2,1-5H3;4H,1-3H3;1-2H3.
What are the key properties of 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane?
3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane has a molecular weight of 482.76 g/mol, XLogP of 10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-tert-butylphenyl)phenyl]-5-(4-propan-2-ylphenyl)-4H-pyrazole;ethane;2-methylpropane is sourced from PubChem (CID 143781317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).