2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole

C19H22N2 — CID 150273975

IUPAC2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole
SMILESCC(C)(C)c1ccc(N2NC=CC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2/c1-19(2,3)16-9-11-17(12-10-16)21-18(13-14-20-21)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3
InChIKeyGEDWFWKNPVTAJX-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.56
Rot. Bonds2

About 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole

2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole (PubChem CID 150273975) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole
PubChem CID150273975
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole
SMILESCC(C)(C)c1ccc(N2NC=CC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2/c1-19(2,3)16-9-11-17(12-10-16)21-18(13-14-20-21)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3
InChIKeyGEDWFWKNPVTAJX-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole?
The IUPAC name of 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole (CID 150273975) is 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole is CC(C)(C)c1ccc(N2NC=CC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole?
The InChIKey is GEDWFWKNPVTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-19(2,3)16-9-11-17(12-10-16)21-18(13-14-20-21)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole?
2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole has a molecular weight of 278.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 150273975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).