morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C18H15F3N4O2 — CID 1004815

IUPACmorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2
InChIKeyVMIRXFZOESFYDS-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.89
Rot. Bonds2

About morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 1004815) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID1004815
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2
InChIKeyVMIRXFZOESFYDS-UHFFFAOYSA-N
XLogP2.89
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 1004815) is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is VMIRXFZOESFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)15-10-14(12-4-2-1-3-5-12)23-16-13(11-22-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,10-11H,6-9H2.
What are the key properties of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 376.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 1004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).