3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine

C12H19F3N4 — CID 66013856

IUPAC3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C12H19F3N4/c1-3-9-10(16)11(18(2)17-9)19-6-4-5-8(7-19)12(13,14)15/h8H,3-7,16H2,1-2H3
InChIKeyABLJGYTZYAAWHE-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.34
Rot. Bonds2

About 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine

3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66013856) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66013856
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C12H19F3N4/c1-3-9-10(16)11(18(2)17-9)19-6-4-5-8(7-19)12(13,14)15/h8H,3-7,16H2,1-2H3
InChIKeyABLJGYTZYAAWHE-UHFFFAOYSA-N
XLogP2.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66013856) is 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is CCc1nn(C)c(N2CCCC(C(F)(F)F)C2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is ABLJGYTZYAAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-9-10(16)11(18(2)17-9)19-6-4-5-8(7-19)12(13,14)15/h8H,3-7,16H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 276.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66013856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).