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

C14H12Cl2N4O2 — CID 135902840

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

(7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902840) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135902840
• Molecular Formula: C14H12Cl2N4O2
• Molecular Weight: 339.18 g/mol
• Exact Mass: 338.03
• IUPAC Name: (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: Cc1cc2n(n1)[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2
• InChI: InChI=1S/C14H12Cl2N4O2/c1-7-5-11-18-12(21)6-10(20(11)19-7)14(22)17-9-4-2-3-8(15)13(9)16/h2-5,10H,6H2,1H3,(H,17,22)(H,18,21)/t10-/m1/s1
• InChIKey: SDOYUZARRDEDDO-SNVBAGLBSA-N
• XLogP: 3.02
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.18
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902840) is (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc2n(n1)[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2.

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

The InChIKey is SDOYUZARRDEDDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c1-7-5-11-18-12(21)6-10(20(11)19-7)14(22)17-9-4-2-3-8(15)13(9)16/h2-5,10H,6H2,1H3,(H,17,22)(H,18,21)/t10-/m1/s1.

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

(7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 339.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).