3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine

C15H10F3N3 — CID 83203866

IUPAC3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F3N3/c16-10-1-3-13(4-2-10)21-8-14(19)15(20-21)9-5-11(17)7-12(18)6-9/h1-8H,19H2
InChIKeyMKPVXMIVCGEABA-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.54
Rot. Bonds2

About 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine

3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83203866) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83203866
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F3N3/c16-10-1-3-13(4-2-10)21-8-14(19)15(20-21)9-5-11(17)7-12(18)6-9/h1-8H,19H2
InChIKeyMKPVXMIVCGEABA-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (CID 83203866) is 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(F)cc2)nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is MKPVXMIVCGEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-10-1-3-13(4-2-10)21-8-14(19)15(20-21)9-5-11(17)7-12(18)6-9/h1-8H,19H2.
What are the key properties of 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine has a molecular weight of 289.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83203866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).