N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide

C30H24F3N5O2 — CID 69131446

About N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide

N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide (PubChem CID 69131446) has the molecular formula C30H24F3N5O2 and a molecular weight of 543.55 g/mol. Its IUPAC name is N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide
• PubChem CID: 69131446
• Molecular Formula: C30H24F3N5O2
• Molecular Weight: 543.55 g/mol
• Exact Mass: 543.19
• IUPAC Name: N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(-c3ccnc4c(-c5cccc(C(=O)N(C)C)c5)cnn34)c2)cc1C(F)(F)F
• InChI: InChI=1S/C30H24F3N5O2/c1-18-10-11-21(16-25(18)30(31,32)33)28(39)36-23-9-5-7-20(15-23)26-12-13-34-27-24(17-35-38(26)27)19-6-4-8-22(14-19)29(40)37(2)3/h4-17H,1-3H3,(H,36,39)
• InChIKey: BHZDZJAYOOQHPQ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.55
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide (CID 69131446) is N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2cccc(-c3ccnc4c(-c5cccc(C(=O)N(C)C)c5)cnn34)c2)cc1C(F)(F)F.

What is the InChIKey of N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide?

The InChIKey is BHZDZJAYOOQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N5O2/c1-18-10-11-21(16-25(18)30(31,32)33)28(39)36-23-9-5-7-20(15-23)26-12-13-34-27-24(17-35-38(26)27)19-6-4-8-22(14-19)29(40)37(2)3/h4-17H,1-3H3,(H,36,39).

What are the key properties of N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide?

N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 543.55 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-(dimethylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-4-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69131446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).