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

C17H18N4O2 — CID 91891201

IUPAC6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H18N4O2/c1-12-11-21-15(17(23)19-12)10-14(20-21)16(22)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyQSMNSMRPFPIXJE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.69
Rot. Bonds5

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

6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891201) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891201
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C17H18N4O2/c1-12-11-21-15(17(23)19-12)10-14(20-21)16(22)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyQSMNSMRPFPIXJE-UHFFFAOYSA-N
XLogP1.69
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891201) is 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCCc3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is QSMNSMRPFPIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-11-21-15(17(23)19-12)10-14(20-21)16(22)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(3-phenylpropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).