2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane

C20H31F3N4O — CID 162723803

IUPAC2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane
SMILESCCOC(C)(CNC)c1cc(C)nc2ccnn12.FC(F)(F)C1CCCCC1
InChIInChI=1S/C13H20N4O.C7H11F3/c1-5-18-13(3,9-14-4)11-8-10(2)16-12-6-7-15-17(11)12;8-7(9,10)6-4-2-1-3-5-6/h6-8,14H,5,9H2,1-4H3;6H,1-5H2
InChIKeyCOUUVIWCWLRSGO-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.64
Rot. Bonds5

About 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane

2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane (PubChem CID 162723803) has the molecular formula C20H31F3N4O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane
PubChem CID162723803
Molecular FormulaC20H31F3N4O
Molecular Weight400.49 g/mol
Exact Mass400.24
IUPAC Name2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane
SMILESCCOC(C)(CNC)c1cc(C)nc2ccnn12.FC(F)(F)C1CCCCC1
InChIInChI=1S/C13H20N4O.C7H11F3/c1-5-18-13(3,9-14-4)11-8-10(2)16-12-6-7-15-17(11)12;8-7(9,10)6-4-2-1-3-5-6/h6-8,14H,5,9H2,1-4H3;6H,1-5H2
InChIKeyCOUUVIWCWLRSGO-UHFFFAOYSA-N
XLogP4.64
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane?
The IUPAC name of 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane (CID 162723803) is 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane.
What is the SMILES notation for 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane?
The canonical SMILES for 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane is CCOC(C)(CNC)c1cc(C)nc2ccnn12.FC(F)(F)C1CCCCC1.
What is the InChIKey of 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane?
The InChIKey is COUUVIWCWLRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C7H11F3/c1-5-18-13(3,9-14-4)11-8-10(2)16-12-6-7-15-17(11)12;8-7(9,10)6-4-2-1-3-5-6/h6-8,14H,5,9H2,1-4H3;6H,1-5H2.
What are the key properties of 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane?
2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane has a molecular weight of 400.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-1-amine;trifluoromethylcyclohexane is sourced from PubChem (CID 162723803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).