5-benzyl-3-(3-fluorophenyl)-1H-pyrazole

C16H13FN2 — CID 90699274

IUPAC5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
SMILESFc1cccc(-c2cc(Cc3ccccc3)[nH]n2)c1
InChIInChI=1S/C16H13FN2/c17-14-8-4-7-13(10-14)16-11-15(18-19-16)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19)
InChIKeyTUBVBLGGOYOLLE-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.81
Rot. Bonds3

About 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole

5-benzyl-3-(3-fluorophenyl)-1H-pyrazole (PubChem CID 90699274) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
PubChem CID90699274
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
SMILESFc1cccc(-c2cc(Cc3ccccc3)[nH]n2)c1
InChIInChI=1S/C16H13FN2/c17-14-8-4-7-13(10-14)16-11-15(18-19-16)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19)
InChIKeyTUBVBLGGOYOLLE-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
5-benzyl-3-(3-nitrophenyl)-1H-pyrazole
CID 91385743
3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 91248894
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
3-(5-benzyl-1H-pyrazol-3-yl)-1-propan-2-ylpyridin-1-ium bromide
CID 10155303
5-benzyl-3-bromo-1H-pyrazole
CID 151400606
2-benzyl-4-phenyl-1H-pyrrole
CID 44718285
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole (CID 90699274) is 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole is Fc1cccc(-c2cc(Cc3ccccc3)[nH]n2)c1.
What is the InChIKey of 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole?
The InChIKey is TUBVBLGGOYOLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-14-8-4-7-13(10-14)16-11-15(18-19-16)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,18,19).
What are the key properties of 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole?
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole has a molecular weight of 252.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 90699274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).