2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C13H22F3N5 — CID 83090523

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N5/c1-10-11(8-19(2)18-10)12(7-17)21-5-3-20(4-6-21)9-13(14,15)16/h8,12H,3-7,9,17H2,1-2H3
InChIKeyBRTIFTIDBWNFSG-UHFFFAOYSA-N
MW305.35 g/mol
LogP0.91
Rot. Bonds4

About 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 83090523) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID83090523
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N5/c1-10-11(8-19(2)18-10)12(7-17)21-5-3-20(4-6-21)9-13(14,15)16/h8,12H,3-7,9,17H2,1-2H3
InChIKeyBRTIFTIDBWNFSG-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-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 83090523) is 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is Cc1nn(C)cc1C(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is BRTIFTIDBWNFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-10-11(8-19(2)18-10)12(7-17)21-5-3-20(4-6-21)9-13(14,15)16/h8,12H,3-7,9,17H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(1,3-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-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-dimethylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 83090523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).