1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole

C33H28N4 — CID 59816887

IUPAC1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
SMILESCC(C)(c1ccn(-c2cccc(-c3ccccc3)c2)n1)c1ccn(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C33H28N4/c1-33(2,31-19-21-36(34-31)29-17-9-15-27(23-29)25-11-5-3-6-12-25)32-20-22-37(35-32)30-18-10-16-28(24-30)26-13-7-4-8-14-26/h3-24H,1-2H3
InChIKeyJVZWXRFEDYVJMJ-UHFFFAOYSA-N
MW480.62 g/mol
LogP7.72
Rot. Bonds6

About 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole

1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole (PubChem CID 59816887) has the molecular formula C33H28N4 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole.

Molecular Properties

Compound Name1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
PubChem CID59816887
Molecular FormulaC33H28N4
Molecular Weight480.62 g/mol
Exact Mass480.23
IUPAC Name1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
SMILESCC(C)(c1ccn(-c2cccc(-c3ccccc3)c2)n1)c1ccn(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C33H28N4/c1-33(2,31-19-21-36(34-31)29-17-9-15-27(23-29)25-11-5-3-6-12-25)32-20-22-37(35-32)30-18-10-16-28(24-30)26-13-7-4-8-14-26/h3-24H,1-2H3
InChIKeyJVZWXRFEDYVJMJ-UHFFFAOYSA-N
XLogP7.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
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CID 141422239
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
4-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]butanoic acid
CID 175308580
2-[1-[3-(2-tert-butyl-1-phenylbenzimidazol-4-yl)phenyl]pyrazol-3-yl]phenol
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6-tert-butyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 153307051
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole?
The IUPAC name of 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole (CID 59816887) is 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole.
What is the SMILES notation for 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole?
The canonical SMILES for 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole is CC(C)(c1ccn(-c2cccc(-c3ccccc3)c2)n1)c1ccn(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole?
The InChIKey is JVZWXRFEDYVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4/c1-33(2,31-19-21-36(34-31)29-17-9-15-27(23-29)25-11-5-3-6-12-25)32-20-22-37(35-32)30-18-10-16-28(24-30)26-13-7-4-8-14-26/h3-24H,1-2H3.
What are the key properties of 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole?
1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole has a molecular weight of 480.62 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole is sourced from PubChem (CID 59816887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).