2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine

C13H22F3N5 — CID 63782769

IUPAC2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CCN
InChIInChI=1S/C13H22F3N5/c1-10-11(3-4-17)12(19(2)18-10)21-7-5-20(6-8-21)9-13(14,15)16/h3-9,17H2,1-2H3
InChIKeyLXXQVVLGGYEXAK-UHFFFAOYSA-N
MW305.35 g/mol
LogP0.91
Rot. Bonds4

About 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine

2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine (PubChem CID 63782769) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine
PubChem CID63782769
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CCN
InChIInChI=1S/C13H22F3N5/c1-10-11(3-4-17)12(19(2)18-10)21-7-5-20(6-8-21)9-13(14,15)16/h3-9,17H2,1-2H3
InChIKeyLXXQVVLGGYEXAK-UHFFFAOYSA-N
XLogP0.91
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine (CID 63782769) is 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine is Cc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CCN.
What is the InChIKey of 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine?
The InChIKey is LXXQVVLGGYEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-10-11(3-4-17)12(19(2)18-10)21-7-5-20(6-8-21)9-13(14,15)16/h3-9,17H2,1-2H3.
What are the key properties of 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine?
2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine has a molecular weight of 305.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 63782769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).