(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

About (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739403) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name	(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID	92739403
Molecular Formula	C26H30N4O3
Molecular Weight	446.55 g/mol
Exact Mass	446.23
IUPAC Name	(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILES	COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1cccc(C)c1
InChI	InChI=1S/C26H30N4O3/c1-19-9-7-10-20(15-19)17-29-24(31)23-16-22(21-11-5-4-6-12-21)28-30(23)18-26(29,2)25(32)27-13-8-14-33-3/h4-7,9-12,15-16H,8,13-14,17-18H2,1-3H3,(H,27,32)/t26-/m0/s1
InChIKey	KWRZZZRNYALRCT-SANMLTNESA-N
XLogP	3.43
TPSA	76.46 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739403) is (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1cccc(C)c1.

What is the InChIKey of (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is KWRZZZRNYALRCT-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N4O3/c1-19-9-7-10-20(15-19)17-29-24(31)23-16-22(21-11-5-4-6-12-21)28-30(23)18-26(29,2)25(32)27-13-8-14-33-3/h4-7,9-12,15-16H,8,13-14,17-18H2,1-3H3,(H,27,32)/t26-/m0/s1.

What are the key properties of (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).