3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H15F3N4O2 — CID 1004815

IUPACmorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESC1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4
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
MW376.30 g/mol
LogP2.00
Rot. Bonds2

About 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1004815) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.30 g/mol. Its IUPAC name is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1004815
Molecular FormulaC18H15F3N4O2
Molecular Weight376.30 g/mol
Exact Mass376.11
IUPAC Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESC1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4
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
XLogP2.00
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity535

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1004815) is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is C1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4.
What is the InChIKey of 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
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 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 376.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).