5-fluoro-1-methyl-3,4-diphenylpyrazole

C16H13FN2 — CID 174249239

IUPAC5-fluoro-1-methyl-3,4-diphenylpyrazole
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C16H13FN2/c1-19-16(17)14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyQIKUXAPGIACZMK-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.89
Rot. Bonds2

About 5-fluoro-1-methyl-3,4-diphenylpyrazole

5-fluoro-1-methyl-3,4-diphenylpyrazole (PubChem CID 174249239) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3,4-diphenylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3,4-diphenylpyrazole
PubChem CID174249239
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name5-fluoro-1-methyl-3,4-diphenylpyrazole
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C16H13FN2/c1-19-16(17)14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyQIKUXAPGIACZMK-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3,4-diphenylpyrazole?
The IUPAC name of 5-fluoro-1-methyl-3,4-diphenylpyrazole (CID 174249239) is 5-fluoro-1-methyl-3,4-diphenylpyrazole.
What is the SMILES notation for 5-fluoro-1-methyl-3,4-diphenylpyrazole?
The canonical SMILES for 5-fluoro-1-methyl-3,4-diphenylpyrazole is Cn1nc(-c2ccccc2)c(-c2ccccc2)c1F.
What is the InChIKey of 5-fluoro-1-methyl-3,4-diphenylpyrazole?
The InChIKey is QIKUXAPGIACZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-19-16(17)14(12-8-4-2-5-9-12)15(18-19)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 5-fluoro-1-methyl-3,4-diphenylpyrazole?
5-fluoro-1-methyl-3,4-diphenylpyrazole has a molecular weight of 252.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3,4-diphenylpyrazole is sourced from PubChem (CID 174249239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).