3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H17F3N4O3 — CID 135654705

About 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135654705) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135654705
• Molecular Formula: C21H17F3N4O3
• Molecular Weight: 430.39 g/mol
• Exact Mass: 430.13
• IUPAC Name: 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccccc1-c1cnn2c1NC(=O)CC2C(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C21H17F3N4O3/c1-31-17-8-3-2-7-14(17)15-11-25-28-16(10-18(29)27-19(15)28)20(30)26-13-6-4-5-12(9-13)21(22,23)24/h2-9,11,16H,10H2,1H3,(H,26,30)(H,27,29)
• InChIKey: CLZVNCMYNAXIBG-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.39
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135654705) is 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cnn2c1NC(=O)CC2C(=O)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is CLZVNCMYNAXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-31-17-8-3-2-7-14(17)15-11-25-28-16(10-18(29)27-19(15)28)20(30)26-13-6-4-5-12(9-13)21(22,23)24/h2-9,11,16H,10H2,1H3,(H,26,30)(H,27,29).

What are the key properties of 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?

3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135654705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).