5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole

C30H25FN2O — CID 175419838

IUPAC5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole
SMILESCOc1ccccc1C(c1ccccc1)(c1ccccc1)n1nccc1-c1cccc(C)c1F
InChIInChI=1S/C30H25FN2O/c1-22-12-11-17-25(29(22)31)27-20-21-32-33(27)30(23-13-5-3-6-14-23,24-15-7-4-8-16-24)26-18-9-10-19-28(26)34-2/h3-21H,1-2H3
InChIKeyJAJMPRISTKKNNX-UHFFFAOYSA-N
MW448.54 g/mol
LogP6.85
Rot. Bonds6

About 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole

5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole (PubChem CID 175419838) has the molecular formula C30H25FN2O and a molecular weight of 448.54 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole
PubChem CID175419838
Molecular FormulaC30H25FN2O
Molecular Weight448.54 g/mol
Exact Mass448.20
IUPAC Name5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole
SMILESCOc1ccccc1C(c1ccccc1)(c1ccccc1)n1nccc1-c1cccc(C)c1F
InChIInChI=1S/C30H25FN2O/c1-22-12-11-17-25(29(22)31)27-20-21-32-33(27)30(23-13-5-3-6-14-23,24-15-7-4-8-16-24)26-18-9-10-19-28(26)34-2/h3-21H,1-2H3
InChIKeyJAJMPRISTKKNNX-UHFFFAOYSA-N
XLogP6.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole (CID 175419838) is 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole is COc1ccccc1C(c1ccccc1)(c1ccccc1)n1nccc1-c1cccc(C)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole?
The InChIKey is JAJMPRISTKKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O/c1-22-12-11-17-25(29(22)31)27-20-21-32-33(27)30(23-13-5-3-6-14-23,24-15-7-4-8-16-24)26-18-9-10-19-28(26)34-2/h3-21H,1-2H3.
What are the key properties of 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole?
5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole has a molecular weight of 448.54 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)-diphenylmethyl]pyrazole is sourced from PubChem (CID 175419838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).