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

C19H13ClF2N4O2 — CID 135654723

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

2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135654723) has the molecular formula C19H13ClF2N4O2 and a molecular weight of 402.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135654723
• Molecular Formula: C19H13ClF2N4O2
• Molecular Weight: 402.79 g/mol
• Exact Mass: 402.07
• IUPAC Name: 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: O=C1CC(C(=O)Nc2ccc(F)c(F)c2)n2nc(-c3ccc(Cl)cc3)cc2N1
• InChI: InChI=1S/C19H13ClF2N4O2/c20-11-3-1-10(2-4-11)15-8-17-24-18(27)9-16(26(17)25-15)19(28)23-12-5-6-13(21)14(22)7-12/h1-8,16H,9H2,(H,23,28)(H,24,27)
• InChIKey: VHSGDADCPLKSCK-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.79
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135654723) is 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)Nc2ccc(F)c(F)c2)n2nc(-c3ccc(Cl)cc3)cc2N1.

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

The InChIKey is VHSGDADCPLKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O2/c20-11-3-1-10(2-4-11)15-8-17-24-18(27)9-16(26(17)25-15)19(28)23-12-5-6-13(21)14(22)7-12/h1-8,16H,9H2,(H,23,28)(H,24,27).

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

2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 402.79 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-(3,4-difluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135654723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).