1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole

C24H21FN2 — CID 19586970

IUPAC1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole
SMILESCc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C24H21FN2/c1-17-8-3-5-12-21(17)23-15-24(22-13-6-4-9-18(22)2)27(26-23)16-19-10-7-11-20(25)14-19/h3-15H,16H2,1-2H3
InChIKeyVWFHRBICJFTYJY-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.02
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole

1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole (PubChem CID 19586970) has the molecular formula C24H21FN2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole
PubChem CID19586970
Molecular FormulaC24H21FN2
Molecular Weight356.44 g/mol
Exact Mass356.17
IUPAC Name1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole
SMILESCc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C24H21FN2/c1-17-8-3-5-12-21(17)23-15-24(22-13-6-4-9-18(22)2)27(26-23)16-19-10-7-11-20(25)14-19/h3-15H,16H2,1-2H3
InChIKeyVWFHRBICJFTYJY-UHFFFAOYSA-N
XLogP6.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole (CID 19586970) is 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole is Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole?
The InChIKey is VWFHRBICJFTYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2/c1-17-8-3-5-12-21(17)23-15-24(22-13-6-4-9-18(22)2)27(26-23)16-19-10-7-11-20(25)14-19/h3-15H,16H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole?
1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole has a molecular weight of 356.44 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3,5-bis(2-methylphenyl)pyrazole is sourced from PubChem (CID 19586970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).