N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H18Cl3F3N4O — CID 90694819

About N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90694819) has the molecular formula C23H18Cl3F3N4O and a molecular weight of 529.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 90694819
• Molecular Formula: C23H18Cl3F3N4O
• Molecular Weight: 529.78 g/mol
• Exact Mass: 528.05
• IUPAC Name: N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)Cc1ccccc1Cl
• InChI: InChI=1S/C23H18Cl3F3N4O/c1-12-20(22(34)32(2)11-14-5-3-4-6-15(14)24)21(13-7-8-16(25)17(26)9-13)33-19(30-12)10-18(31-33)23(27,28)29/h3-10,20-21H,11H2,1-2H3
• InChIKey: VKULCSBOLCBTGE-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 50.49 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.78
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90694819) is N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)Cc1ccccc1Cl.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is VKULCSBOLCBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3F3N4O/c1-12-20(22(34)32(2)11-14-5-3-4-6-15(14)24)21(13-7-8-16(25)17(26)9-13)33-19(30-12)10-18(31-33)23(27,28)29/h3-10,20-21H,11H2,1-2H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 529.78 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).