morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone

C18H19F3N4O2 — CID 3310354

IUPACmorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2)N1CCOCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-13(12-4-2-1-3-5-12)22-16-11-14(23-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,11,13,15,22H,6-10H2
InChIKeyWLRVLSPMNBEBJI-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.02
Rot. Bonds2

About morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone

morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 3310354) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID3310354
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Namemorpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2)N1CCOCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-13(12-4-2-1-3-5-12)22-16-11-14(23-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,11,13,15,22H,6-10H2
InChIKeyWLRVLSPMNBEBJI-UHFFFAOYSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 3310354) is morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is WLRVLSPMNBEBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)15-10-13(12-4-2-1-3-5-12)22-16-11-14(23-25(15)16)17(26)24-6-8-27-9-7-24/h1-5,11,13,15,22H,6-10H2.
What are the key properties of morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?
morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 380.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 3310354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).