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

C26H30N4O3 — CID 50756491

IUPAC5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)cc(C)c1
InChIInChI=1S/C26H30N4O3/c1-18-13-19(2)15-21(14-18)30-24(31)23-16-22(20-9-6-5-7-10-20)28-29(23)17-26(30,3)25(32)27-11-8-12-33-4/h5-7,9-10,13-16H,8,11-12,17H2,1-4H3,(H,27,32)
InChIKeyDQWLBUBTUFQRDJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.74
Rot. Bonds7

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

5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756491) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756491
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)cc(C)c1
InChIInChI=1S/C26H30N4O3/c1-18-13-19(2)15-21(14-18)30-24(31)23-16-22(20-9-6-5-7-10-20)28-29(23)17-26(30,3)25(32)27-11-8-12-33-4/h5-7,9-10,13-16H,8,11-12,17H2,1-4H3,(H,27,32)
InChIKeyDQWLBUBTUFQRDJ-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756491) is 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCCNC(=O)C1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cc(C)cc(C)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is DQWLBUBTUFQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-13-19(2)15-21(14-18)30-24(31)23-16-22(20-9-6-5-7-10-20)28-29(23)17-26(30,3)25(32)27-11-8-12-33-4/h5-7,9-10,13-16H,8,11-12,17H2,1-4H3,(H,27,32).
What are the key properties of 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).