2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine

C19H21F3N4O — CID 162723923

IUPAC2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine
SMILESCCOC(CNC)c1cc(C)nc2cc(-c3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C19H21F3N4O/c1-4-27-17(11-23-3)16-9-12(2)24-18-10-15(25-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-10,17,23H,4,11H2,1-3H3
InChIKeyWJFWAGHXKFKIEJ-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.02
Rot. Bonds6

About 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine

2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine (PubChem CID 162723923) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine
PubChem CID162723923
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine
SMILESCCOC(CNC)c1cc(C)nc2cc(-c3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C19H21F3N4O/c1-4-27-17(11-23-3)16-9-12(2)24-18-10-15(25-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-10,17,23H,4,11H2,1-3H3
InChIKeyWJFWAGHXKFKIEJ-UHFFFAOYSA-N
XLogP4.02
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.02
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-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine (CID 162723923) is 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine is CCOC(CNC)c1cc(C)nc2cc(-c3ccc(C(F)(F)F)cc3)nn12.
What is the InChIKey of 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine?
The InChIKey is WJFWAGHXKFKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-4-27-17(11-23-3)16-9-12(2)24-18-10-15(25-26(16)18)13-5-7-14(8-6-13)19(20,21)22/h5-10,17,23H,4,11H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine?
2-ethoxy-N-methyl-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine has a molecular weight of 378.40 g/mol, XLogP of 4.02, 6 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-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethanamine is sourced from PubChem (CID 162723923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).