1,3,5-triphenyl-4-pyrazol-1-ylpyrazole

C24H18N4 — CID 57355521

IUPAC1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2cccn2)cc1
InChIInChI=1S/C24H18N4/c1-4-11-19(12-5-1)22-24(27-18-10-17-25-27)23(20-13-6-2-7-14-20)28(26-22)21-15-8-3-9-16-21/h1-18H
InChIKeyYGEDFNCNIQNZNA-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.39
Rot. Bonds4

About 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole

1,3,5-triphenyl-4-pyrazol-1-ylpyrazole (PubChem CID 57355521) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole.

Molecular Properties

Compound Name1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
PubChem CID57355521
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2cccn2)cc1
InChIInChI=1S/C24H18N4/c1-4-11-19(12-5-1)22-24(27-18-10-17-25-27)23(20-13-6-2-7-14-20)28(26-22)21-15-8-3-9-16-21/h1-18H
InChIKeyYGEDFNCNIQNZNA-UHFFFAOYSA-N
XLogP5.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1,5-diphenyl-4-pyrazol-1-ylpyrazole
CID 178201630
4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole
CID 177309742
dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
CID 53430914
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
tritert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)-1,5-dihydropyrazol-3-yl]phosphanium
CID 171770394
2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
CID 10622967
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
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide
CID 155384804
tert-butyl-dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)-1,5-dihydropyrazol-3-yl]phosphanium
CID 171770395
1,3,5-triphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 101449994

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole?
The IUPAC name of 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole (CID 57355521) is 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole.
What is the SMILES notation for 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole?
The canonical SMILES for 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole is c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2cccn2)cc1.
What is the InChIKey of 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole?
The InChIKey is YGEDFNCNIQNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-4-11-19(12-5-1)22-24(27-18-10-17-25-27)23(20-13-6-2-7-14-20)28(26-22)21-15-8-3-9-16-21/h1-18H.
What are the key properties of 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole?
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole has a molecular weight of 362.44 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenyl-4-pyrazol-1-ylpyrazole is sourced from PubChem (CID 57355521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).