acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane

C23H25Cl2F3N4O2 — CID 142067358

About acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane

acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane (PubChem CID 142067358) has the molecular formula C23H25Cl2F3N4O2 and a molecular weight of 517.38 g/mol. Its IUPAC name is acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane.

Molecular Properties

• Compound Name: acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane
• PubChem CID: 142067358
• Molecular Formula: C23H25Cl2F3N4O2
• Molecular Weight: 517.38 g/mol
• Exact Mass: 516.13
• IUPAC Name: acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane
• SMILES: C#C.CC1=C(C(=O)N2CCCC2)C(c2cccc(Cl)c2Cl)n2nc(C(F)(F)F)cc2N1.COC
• InChI: InChI=1S/C19H17Cl2F3N4O.C2H6O.C2H2/c1-10-15(18(29)27-7-2-3-8-27)17(11-5-4-6-12(20)16(11)21)28-14(25-10)9-13(26-28)19(22,23)24;1-3-2;1-2/h4-6,9,17,25H,2-3,7-8H2,1H3;1-2H3;1-2H
• InChIKey: PNIROUIZDSZFNA-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.38
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane?

The IUPAC name of acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane (CID 142067358) is acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane.

What is the SMILES notation for acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane?

The canonical SMILES for acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane is C#C.CC1=C(C(=O)N2CCCC2)C(c2cccc(Cl)c2Cl)n2nc(C(F)(F)F)cc2N1.COC.

What is the InChIKey of acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane?

The InChIKey is PNIROUIZDSZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N4O.C2H6O.C2H2/c1-10-15(18(29)27-7-2-3-8-27)17(11-5-4-6-12(20)16(11)21)28-14(25-10)9-13(26-28)19(22,23)24;1-3-2;1-2/h4-6,9,17,25H,2-3,7-8H2,1H3;1-2H3;1-2H.

What are the key properties of acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane?

acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane has a molecular weight of 517.38 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane is sourced from PubChem (CID 142067358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).