N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C18H17F3N4O — CID 66597994

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)13-3-1-2-12(10-13)15-11-22-25-7-4-16(24-17(15)25)23-14-5-8-26-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,23,24)
InChIKeyNOFYKQCGBPESGK-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.01
Rot. Bonds3

About N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 66597994) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID66597994
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)13-3-1-2-12(10-13)15-11-22-25-7-4-16(24-17(15)25)23-14-5-8-26-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,23,24)
InChIKeyNOFYKQCGBPESGK-UHFFFAOYSA-N
XLogP4.01
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168278835
(R)-3-(6-(1-(4-fluorophenyl)propylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 45486142
Trk-IN-21
CID 164886651
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168268870
3-[1-(difluoromethyl)pyrazol-4-yl]-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269074
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 168269263
3-[4-[5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]propanenitrile
CID 168269968

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 66597994) is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NOFYKQCGBPESGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)13-3-1-2-12(10-13)15-11-22-25-7-4-16(24-17(15)25)23-14-5-8-26-9-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,23,24).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 362.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 66597994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).