3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

C13H14F3N3 — CID 43381303

IUPAC3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-8(2)11-7-12(17)19(18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyKAIUALOJZSYVNL-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.60
Rot. Bonds2

About 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine

3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 43381303) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID43381303
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-8(2)11-7-12(17)19(18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyKAIUALOJZSYVNL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 43381303) is 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is CC(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is KAIUALOJZSYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(2)11-7-12(17)19(18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,17H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine?
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 269.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 43381303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).