3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine

C12H20F3N5 — CID 66014630

IUPAC3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C12H20F3N5/c1-3-9-10(16)11(18(2)17-9)20-6-4-19(5-7-20)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyWAQYEKFZIUEZDK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.25
Rot. Bonds3

About 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine

3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 66014630) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID66014630
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C12H20F3N5/c1-3-9-10(16)11(18(2)17-9)20-6-4-19(5-7-20)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyWAQYEKFZIUEZDK-UHFFFAOYSA-N
XLogP1.25
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (CID 66014630) is 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is CCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is WAQYEKFZIUEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-3-9-10(16)11(18(2)17-9)20-6-4-19(5-7-20)8-12(13,14)15/h3-8,16H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 291.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66014630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).