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

C19H19F3N4O2 — CID 118720917

IUPACN-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25)
InChIKeyKMNRCZURSJYSOE-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.13
Rot. Bonds5

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

N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 118720917) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID118720917
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)Oc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25)
InChIKeyKMNRCZURSJYSOE-UHFFFAOYSA-N
XLogP4.13
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 118720917) is N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)Oc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KMNRCZURSJYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25).
What are the key properties of N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 392.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 118720917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).