5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine

C10H16F3N3 — CID 116535091

IUPAC5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine
SMILESCc1cc(N)n(C(C)CCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-7-6-9(14)16(15-7)8(2)4-3-5-10(11,12)13/h6,8H,3-5,14H2,1-2H3
InChIKeyVLRSTIIPBSTEIS-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.07
Rot. Bonds4

About 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine

5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine (PubChem CID 116535091) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine
PubChem CID116535091
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine
SMILESCc1cc(N)n(C(C)CCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-7-6-9(14)16(15-7)8(2)4-3-5-10(11,12)13/h6,8H,3-5,14H2,1-2H3
InChIKeyVLRSTIIPBSTEIS-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine (CID 116535091) is 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine is Cc1cc(N)n(C(C)CCCC(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine?
The InChIKey is VLRSTIIPBSTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-7-6-9(14)16(15-7)8(2)4-3-5-10(11,12)13/h6,8H,3-5,14H2,1-2H3.
What are the key properties of 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine?
5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine has a molecular weight of 235.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6,6,6-trifluorohexan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 116535091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).