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

C12H19F3N4O — CID 62969115

IUPAC[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CO
InChIInChI=1S/C12H19F3N4O/c1-9-10(7-20)11(17(2)16-9)19-5-3-18(4-6-19)8-12(13,14)15/h20H,3-8H2,1-2H3
InChIKeyZLJAAEJIZFETRS-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.91
Rot. Bonds3

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

[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol (PubChem CID 62969115) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol
PubChem CID62969115
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CO
InChIInChI=1S/C12H19F3N4O/c1-9-10(7-20)11(17(2)16-9)19-5-3-18(4-6-19)8-12(13,14)15/h20H,3-8H2,1-2H3
InChIKeyZLJAAEJIZFETRS-UHFFFAOYSA-N
XLogP0.91
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.91
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-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol (CID 62969115) is [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol is Cc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol?
The InChIKey is ZLJAAEJIZFETRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-9-10(7-20)11(17(2)16-9)19-5-3-18(4-6-19)8-12(13,14)15/h20H,3-8H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol has a molecular weight of 292.31 g/mol, XLogP of 0.91, 3 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-yl]methanol is sourced from PubChem (CID 62969115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).