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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Related Compounds

3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83222297
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222604
3-[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]benzonitrile
CID 83203714
3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83205248
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 83222410
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203239
1-tert-butyl-3-(3,5-difluorophenyl)pyrazol-4-amine
CID 83222745
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
CID 83205335

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).