[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone

C21H17Cl2F3N4O2 — CID 4777463

About [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone

[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 4777463) has the molecular formula C21H17Cl2F3N4O2 and a molecular weight of 485.29 g/mol. Its IUPAC name is [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

• Compound Name: [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone
• PubChem CID: 4777463
• Molecular Formula: C21H17Cl2F3N4O2
• Molecular Weight: 485.29 g/mol
• Exact Mass: 484.07
• IUPAC Name: [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone
• SMILES: Cc1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1
• InChI: InChI=1S/C21H17Cl2F3N4O2/c1-10-6-19-29(16(11-2-3-11)9-18(21(24,25)26)30(19)27-10)20(31)15-8-17(32-28-15)13-5-4-12(22)7-14(13)23/h4-8,11,16,18H,2-3,9H2,1H3
• InChIKey: DSERWAPWWAWMRD-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.29
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone?

The IUPAC name of [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone (CID 4777463) is [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone.

What is the SMILES notation for [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone?

The canonical SMILES for [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone is Cc1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1.

What is the InChIKey of [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone?

The InChIKey is DSERWAPWWAWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N4O2/c1-10-6-19-29(16(11-2-3-11)9-18(21(24,25)26)30(19)27-10)20(31)15-8-17(32-28-15)13-5-4-12(22)7-14(13)23/h4-8,11,16,18H,2-3,9H2,1H3.

What are the key properties of [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone?

[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 485.29 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 4777463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).