1-[(4-fluorophenyl)-diphenylmethyl]pyrazole

C22H17FN2 — CID 22660844

IUPAC1-[(4-fluorophenyl)-diphenylmethyl]pyrazole
SMILESFc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C22H17FN2/c23-21-14-12-20(13-15-21)22(25-17-7-16-24-25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H
InChIKeyYTYUGIJIBBDRPG-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.86
Rot. Bonds4

About 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole

1-[(4-fluorophenyl)-diphenylmethyl]pyrazole (PubChem CID 22660844) has the molecular formula C22H17FN2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-diphenylmethyl]pyrazole
PubChem CID22660844
Molecular FormulaC22H17FN2
Molecular Weight328.39 g/mol
Exact Mass328.14
IUPAC Name1-[(4-fluorophenyl)-diphenylmethyl]pyrazole
SMILESFc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C22H17FN2/c23-21-14-12-20(13-15-21)22(25-17-7-16-24-25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H
InChIKeyYTYUGIJIBBDRPG-UHFFFAOYSA-N
XLogP4.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole (CID 22660844) is 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole is Fc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole?
The InChIKey is YTYUGIJIBBDRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2/c23-21-14-12-20(13-15-21)22(25-17-7-16-24-25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H.
What are the key properties of 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole?
1-[(4-fluorophenyl)-diphenylmethyl]pyrazole has a molecular weight of 328.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-diphenylmethyl]pyrazole is sourced from PubChem (CID 22660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).