N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C18H19F3N4O — CID 162571507

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)C1=CC(c2cnn3ccc(NC4CCOCC4)nc23)CC=C1
InChIInChI=1S/C18H19F3N4O/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/h1,3-4,7,10-12,14H,2,5-6,8-9H2,(H,23,24)
InChIKeyBXIDRXSVPJCJQH-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.85
Rot. Bonds3

About N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 162571507) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID162571507
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)C1=CC(c2cnn3ccc(NC4CCOCC4)nc23)CC=C1
InChIInChI=1S/C18H19F3N4O/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/h1,3-4,7,10-12,14H,2,5-6,8-9H2,(H,23,24)
InChIKeyBXIDRXSVPJCJQH-UHFFFAOYSA-N
XLogP3.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 162571507) is N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)C1=CC(c2cnn3ccc(NC4CCOCC4)nc23)CC=C1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is BXIDRXSVPJCJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/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/h1,3-4,7,10-12,14H,2,5-6,8-9H2,(H,23,24).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(oxan-4-yl)-3-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 364.37 g/mol, XLogP of 3.85, 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)cyclohexa-2,4-dien-1-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 162571507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).