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

C11H18F3N5 — CID 62967525

IUPAC1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C11H18F3N5/c1-8-9(15)10(17(2)16-8)19-5-3-18(4-6-19)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyQOCYICOWOPLMLQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.00
Rot. Bonds2

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

1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 62967525) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID62967525
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N
InChIInChI=1S/C11H18F3N5/c1-8-9(15)10(17(2)16-8)19-5-3-18(4-6-19)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyQOCYICOWOPLMLQ-UHFFFAOYSA-N
XLogP1.00
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine (CID 62967525) is 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is Cc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is QOCYICOWOPLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-8-9(15)10(17(2)16-8)19-5-3-18(4-6-19)7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine?
1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 277.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 62967525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).