N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C25H23N5O2 — CID 170713231

About N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713231) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713231
• Molecular Formula: C25H23N5O2
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.19
• IUPAC Name: N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC4CCC4)cc2)CC3)c1
• InChI: InChI=1S/C25H23N5O2/c26-15-19-5-2-6-20(14-19)28-24(31)22-16-27-30-12-11-29(25(32)23(22)30)21-9-7-18(8-10-21)13-17-3-1-4-17/h2,5-10,14,16-17H,1,3-4,11-13H2,(H,28,31)
• InChIKey: USAHPJGPWPWQEN-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713231) is N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC4CCC4)cc2)CC3)c1.

What is the InChIKey of N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is USAHPJGPWPWQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c26-15-19-5-2-6-20(14-19)28-24(31)22-16-27-30-12-11-29(25(32)23(22)30)21-9-7-18(8-10-21)13-17-3-1-4-17/h2,5-10,14,16-17H,1,3-4,11-13H2,(H,28,31).

What are the key properties of N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-5-[4-(cyclobutylmethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).