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

C13H22F3N5 — CID 62968062

IUPAC1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N5/c1-10-11(8-17-2)12(19(3)18-10)21-6-4-20(5-7-21)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyWZGAXSOAQAAYMB-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.13
Rot. Bonds4

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

1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 62968062) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID62968062
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N5/c1-10-11(8-17-2)12(19(3)18-10)21-6-4-20(5-7-21)9-13(14,15)16/h17H,4-9H2,1-3H3
InChIKeyWZGAXSOAQAAYMB-UHFFFAOYSA-N
XLogP1.13
TPSA36.33 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine (CID 62968062) is 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is WZGAXSOAQAAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-10-11(8-17-2)12(19(3)18-10)21-6-4-20(5-7-21)9-13(14,15)16/h17H,4-9H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 305.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62968062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).