1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine

C13H15F3N4 — CID 23298763

IUPAC1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCC(C)n1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N4/c1-7(2)20-11(10(17)12(18)19-20)8-4-3-5-9(6-8)13(14,15)16/h3-7H,17H2,1-2H3,(H2,18,19)
InChIKeyZKICGSZOKPMCNN-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.31
Rot. Bonds2

About 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine

1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (PubChem CID 23298763) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
PubChem CID23298763
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine
SMILESCC(C)n1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N4/c1-7(2)20-11(10(17)12(18)19-20)8-4-3-5-9(6-8)13(14,15)16/h3-7H,17H2,1-2H3,(H2,18,19)
InChIKeyZKICGSZOKPMCNN-UHFFFAOYSA-N
XLogP3.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The IUPAC name of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine (CID 23298763) is 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is CC(C)n1nc(N)c(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
The InChIKey is ZKICGSZOKPMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-7(2)20-11(10(17)12(18)19-20)8-4-3-5-9(6-8)13(14,15)16/h3-7H,17H2,1-2H3,(H2,18,19).
What are the key properties of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine?
1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine has a molecular weight of 284.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyrazole-3,4-diamine is sourced from PubChem (CID 23298763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).