3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide

C16H15N5O3 — CID 170713179

About 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide

3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 170713179) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide
• PubChem CID: 170713179
• Molecular Formula: C16H15N5O3
• Molecular Weight: 325.33 g/mol
• Exact Mass: 325.12
• IUPAC Name: 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cnn3c2C(=O)N[C@@H](C)C3)cc1C#N
• InChI: InChI=1S/C16H15N5O3/c1-9-8-21-14(16(23)19-9)12(7-18-21)20-15(22)10-3-4-13(24-2)11(5-10)6-17/h3-5,7,9H,8H2,1-2H3,(H,19,23)(H,20,22)/t9-/m0/s1
• InChIKey: FCGPDJXRVVRXSS-VIFPVBQESA-N
• XLogP: 1.15
• TPSA: 109.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.33
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide?

The IUPAC name of 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide (CID 170713179) is 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide?

The canonical SMILES for 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide is COc1ccc(C(=O)Nc2cnn3c2C(=O)N[C@@H](C)C3)cc1C#N.

What is the InChIKey of 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide?

The InChIKey is FCGPDJXRVVRXSS-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-8-21-14(16(23)19-9)12(7-18-21)20-15(22)10-3-4-13(24-2)11(5-10)6-17/h3-5,7,9H,8H2,1-2H3,(H,19,23)(H,20,22)/t9-/m0/s1.

What are the key properties of 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide?

3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide has a molecular weight of 325.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-4-methoxy-N-[(6S)-6-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 170713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).