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

C12H20F3N5 — CID 62967709

IUPAC[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CN
InChIInChI=1S/C12H20F3N5/c1-9-10(7-16)11(18(2)17-9)20-5-3-19(4-6-20)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyGEKJPFCXHQKHBT-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.87
Rot. Bonds3

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

[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine (PubChem CID 62967709) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine
PubChem CID62967709
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CN
InChIInChI=1S/C12H20F3N5/c1-9-10(7-16)11(18(2)17-9)20-5-3-19(4-6-20)8-12(13,14)15/h3-8,16H2,1-2H3
InChIKeyGEKJPFCXHQKHBT-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
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]methanamine?
The IUPAC name of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine (CID 62967709) is [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine is Cc1nn(C)c(N2CCN(CC(F)(F)F)CC2)c1CN.
What is the InChIKey of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine?
The InChIKey is GEKJPFCXHQKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-9-10(7-16)11(18(2)17-9)20-5-3-19(4-6-20)8-12(13,14)15/h3-8,16H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 0.87, 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]methanamine is sourced from PubChem (CID 62967709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).