(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C22H21FN4O2 — CID 93065003

About (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 93065003) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 93065003
• Molecular Formula: C22H21FN4O2
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.16
• IUPAC Name: (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O
• InChI: InChI=1S/C22H21FN4O2/c1-15-12-19-20(28)27(18-10-8-17(23)9-11-18)22(2,14-26(19)25-15)21(29)24-13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,24,29)/t22-/m0/s1
• InChIKey: AZNASJAUELISRZ-QFIPXVFZSA-N
• XLogP: 3.07
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 93065003) is (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O.

What is the InChIKey of (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is AZNASJAUELISRZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-15-12-19-20(28)27(18-10-8-17(23)9-11-18)22(2,14-26(19)25-15)21(29)24-13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,24,29)/t22-/m0/s1.

What are the key properties of (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 93065003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).