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

C19H14ClFN4O2 — CID 135901648

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

(7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135901648) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135901648
• Molecular Formula: C19H14ClFN4O2
• Molecular Weight: 384.80 g/mol
• Exact Mass: 384.08
• IUPAC Name: (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: O=C1C[C@@H](C(=O)Nc2cccc(F)c2)n2nc(-c3ccc(Cl)cc3)cc2N1
• InChI: InChI=1S/C19H14ClFN4O2/c20-12-6-4-11(5-7-12)15-9-17-23-18(26)10-16(25(17)24-15)19(27)22-14-3-1-2-13(21)8-14/h1-9,16H,10H2,(H,22,27)(H,23,26)/t16-/m0/s1
• InChIKey: AINBBHWRFOQKQM-INIZCTEOSA-N
• XLogP: 3.86
• 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	384.80
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135901648) is (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@@H](C(=O)Nc2cccc(F)c2)n2nc(-c3ccc(Cl)cc3)cc2N1.

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

The InChIKey is AINBBHWRFOQKQM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c20-12-6-4-11(5-7-12)15-9-17-23-18(26)10-16(25(17)24-15)19(27)22-14-3-1-2-13(21)8-14/h1-9,16H,10H2,(H,22,27)(H,23,26)/t16-/m0/s1.

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

(7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 384.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-(4-chlorophenyl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135901648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).