1,3,5,5-tetraphenyl-4H-pyrazole

C27H22N2 — CID 15557192

IUPAC1,3,5,5-tetraphenyl-4H-pyrazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)29(28-26)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyZJQCARGJAWQCKJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.24
Rot. Bonds4

About 1,3,5,5-tetraphenyl-4H-pyrazole

1,3,5,5-tetraphenyl-4H-pyrazole (PubChem CID 15557192) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1,3,5,5-tetraphenyl-4H-pyrazole.

Molecular Properties

Compound Name1,3,5,5-tetraphenyl-4H-pyrazole
PubChem CID15557192
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name1,3,5,5-tetraphenyl-4H-pyrazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)29(28-26)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyZJQCARGJAWQCKJ-UHFFFAOYSA-N
XLogP6.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetraphenyl-4H-pyrazole?
The IUPAC name of 1,3,5,5-tetraphenyl-4H-pyrazole (CID 15557192) is 1,3,5,5-tetraphenyl-4H-pyrazole.
What is the SMILES notation for 1,3,5,5-tetraphenyl-4H-pyrazole?
The canonical SMILES for 1,3,5,5-tetraphenyl-4H-pyrazole is c1ccc(C2=NN(c3ccccc3)C(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 1,3,5,5-tetraphenyl-4H-pyrazole?
The InChIKey is ZJQCARGJAWQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)29(28-26)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 1,3,5,5-tetraphenyl-4H-pyrazole?
1,3,5,5-tetraphenyl-4H-pyrazole has a molecular weight of 374.49 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetraphenyl-4H-pyrazole is sourced from PubChem (CID 15557192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).