3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole

C17H17FN2 — CID 71440732

IUPAC3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole
SMILESCN1C(c2ccccc2)=CC(c2cccc(F)c2)N1C
InChIInChI=1S/C17H17FN2/c1-19-16(13-7-4-3-5-8-13)12-17(20(19)2)14-9-6-10-15(18)11-14/h3-12,17H,1-2H3
InChIKeySVUABACCFMMCDJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.70
Rot. Bonds2

About 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole

3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole (PubChem CID 71440732) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole
PubChem CID71440732
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole
SMILESCN1C(c2ccccc2)=CC(c2cccc(F)c2)N1C
InChIInChI=1S/C17H17FN2/c1-19-16(13-7-4-3-5-8-13)12-17(20(19)2)14-9-6-10-15(18)11-14/h3-12,17H,1-2H3
InChIKeySVUABACCFMMCDJ-UHFFFAOYSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole?
The IUPAC name of 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole (CID 71440732) is 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole.
What is the SMILES notation for 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole?
The canonical SMILES for 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole is CN1C(c2ccccc2)=CC(c2cccc(F)c2)N1C.
What is the InChIKey of 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole?
The InChIKey is SVUABACCFMMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-19-16(13-7-4-3-5-8-13)12-17(20(19)2)14-9-6-10-15(18)11-14/h3-12,17H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole?
3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole has a molecular weight of 268.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,2-dimethyl-5-phenyl-3H-pyrazole is sourced from PubChem (CID 71440732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).