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

C12H20F3N5 — CID 66013247

IUPAC1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5/c1-3-20-11(10(16)9(2)17-20)19-6-4-18(5-7-19)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyYYGBSVQHKPKRPF-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.48
Rot. Bonds3

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

1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 66013247) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID66013247
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5/c1-3-20-11(10(16)9(2)17-20)19-6-4-18(5-7-19)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyYYGBSVQHKPKRPF-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (CID 66013247) is 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is CCn1nc(C)c(N)c1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is YYGBSVQHKPKRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-3-20-11(10(16)9(2)17-20)19-6-4-18(5-7-19)8-12(13,14)15/h3-8,16H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 291.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66013247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).