4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole

C33H30N2 — CID 134910224

IUPAC4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
SMILESc1ccc(-c2ccc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H30N2/c1-5-13-25(14-6-1)26-21-23-28(24-22-26)32-31(27-15-7-2-8-16-27)33(29-17-9-3-10-18-29)35(34-32)30-19-11-4-12-20-30/h1,3-6,9-14,17-24,27H,2,7-8,15-16H2
InChIKeyQDGANSAAEXLDJJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP8.92
Rot. Bonds5

About 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole

4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole (PubChem CID 134910224) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole.

Molecular Properties

Compound Name4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
PubChem CID134910224
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
SMILESc1ccc(-c2ccc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H30N2/c1-5-13-25(14-6-1)26-21-23-28(24-22-26)32-31(27-15-7-2-8-16-27)33(29-17-9-3-10-18-29)35(34-32)30-19-11-4-12-20-30/h1,3-6,9-14,17-24,27H,2,7-8,15-16H2
InChIKeyQDGANSAAEXLDJJ-UHFFFAOYSA-N
XLogP8.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate
CID 175303389
dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
CID 53430914
2,2,4,4,6,6-hexakis[4-(1,3,5-triphenylpyrazol-4-yl)phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 132562543
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 135887506
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
tert-butyl-dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)-1,5-dihydropyrazol-3-yl]phosphanium
CID 171770395
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
CID 57355521
tert-butyl-dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphanium;tritert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphanium
CID 161242789
4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
CID 135693348
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
2,3-dicyclohexylphenol;4-phenylphenol
CID 68975565

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole?
The IUPAC name of 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole (CID 134910224) is 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole.
What is the SMILES notation for 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole?
The canonical SMILES for 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole is c1ccc(-c2ccc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole?
The InChIKey is QDGANSAAEXLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-5-13-25(14-6-1)26-21-23-28(24-22-26)32-31(27-15-7-2-8-16-27)33(29-17-9-3-10-18-29)35(34-32)30-19-11-4-12-20-30/h1,3-6,9-14,17-24,27H,2,7-8,15-16H2.
What are the key properties of 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole?
4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole has a molecular weight of 454.62 g/mol, XLogP of 8.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole is sourced from PubChem (CID 134910224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).