5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole

C16H15FN2 — CID 56590612

IUPAC5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C16H15FN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3
InChIKeyYYHKENGCAOCFRI-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.61
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole

5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole (PubChem CID 56590612) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole
PubChem CID56590612
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C16H15FN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3
InChIKeyYYHKENGCAOCFRI-UHFFFAOYSA-N
XLogP3.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole (CID 56590612) is 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole is CN1N=C(c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole?
The InChIKey is YYHKENGCAOCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19-16(13-5-3-2-4-6-13)11-15(18-19)12-7-9-14(17)10-8-12/h2-10,16H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole?
5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole has a molecular weight of 254.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 56590612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).