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

C19H14Cl2N4O2 — CID 135940932

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

(7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135940932) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135940932
• Molecular Formula: C19H14Cl2N4O2
• Molecular Weight: 401.25 g/mol
• Exact Mass: 400.05
• IUPAC Name: (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: O=C1C[C@H](C(=O)Nc2ccccc2Cl)n2nc(-c3ccc(Cl)cc3)cc2N1
• InChI: InChI=1S/C19H14Cl2N4O2/c20-12-7-5-11(6-8-12)15-9-17-23-18(26)10-16(25(17)24-15)19(27)22-14-4-2-1-3-13(14)21/h1-9,16H,10H2,(H,22,27)(H,23,26)/t16-/m1/s1
• InChIKey: PKQHWVKKGNLDRT-MRXNPFEDSA-N
• XLogP: 4.38
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.25
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135940932) is (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@H](C(=O)Nc2ccccc2Cl)n2nc(-c3ccc(Cl)cc3)cc2N1.

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

The InChIKey is PKQHWVKKGNLDRT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c20-12-7-5-11(6-8-12)15-9-17-23-18(26)10-16(25(17)24-15)19(27)22-14-4-2-1-3-13(14)21/h1-9,16H,10H2,(H,22,27)(H,23,26)/t16-/m1/s1.

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

(7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(2-chlorophenyl)-2-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135940932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).