1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine

C13H14F3N3 — CID 56954316

IUPAC1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
SMILESCC(C)(c1cc(N)n(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-12(2,13(14,15)16)10-8-11(17)19(18-10)9-6-4-3-5-7-9/h3-8H,17H2,1-2H3
InChIKeyUWJGRHWOTOMLMC-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.29
Rot. Bonds2

About 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine

1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine (PubChem CID 56954316) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
PubChem CID56954316
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
SMILESCC(C)(c1cc(N)n(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-12(2,13(14,15)16)10-8-11(17)19(18-10)9-6-4-3-5-7-9/h3-8H,17H2,1-2H3
InChIKeyUWJGRHWOTOMLMC-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine (CID 56954316) is 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine is CC(C)(c1cc(N)n(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
The InChIKey is UWJGRHWOTOMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-12(2,13(14,15)16)10-8-11(17)19(18-10)9-6-4-3-5-7-9/h3-8H,17H2,1-2H3.
What are the key properties of 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine?
1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine has a molecular weight of 269.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 56954316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).