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

C18H17F3N4O2 — CID 66597988

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-3-1-2-12(10-14)15-11-22-25-7-4-16(24-17(15)25)23-13-5-8-26-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,24)
InChIKeyJWPNDZGRUDXFMD-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.89
Rot. Bonds4

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

N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 66597988) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID66597988
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-3-1-2-12(10-14)15-11-22-25-7-4-16(24-17(15)25)23-13-5-8-26-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,24)
InChIKeyJWPNDZGRUDXFMD-UHFFFAOYSA-N
XLogP3.89
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 66597988) is N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)Oc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is JWPNDZGRUDXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-3-1-2-12(10-14)15-11-22-25-7-4-16(24-17(15)25)23-13-5-8-26-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H,23,24).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 378.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 66597988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).