4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one

C16H19N3O2 — CID 103119278

IUPAC4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
SMILESCCCC1CCC(=O)C(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-3-11-4-5-15(20)12(8-11)16(21)13-9-18-19-7-6-17-10-14(13)19/h6-7,9-12H,2-5,8H2,1H3
InChIKeyILQIPXROIPZZPM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.70
Rot. Bonds4

About 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one

4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one (PubChem CID 103119278) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
PubChem CID103119278
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
SMILESCCCC1CCC(=O)C(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-3-11-4-5-15(20)12(8-11)16(21)13-9-18-19-7-6-17-10-14(13)19/h6-7,9-12H,2-5,8H2,1H3
InChIKeyILQIPXROIPZZPM-UHFFFAOYSA-N
XLogP2.70
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one (CID 103119278) is 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one is CCCC1CCC(=O)C(C(=O)c2cnn3ccncc23)C1.
What is the InChIKey of 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The InChIKey is ILQIPXROIPZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-11-4-5-15(20)12(8-11)16(21)13-9-18-19-7-6-17-10-14(13)19/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one has a molecular weight of 285.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 103119278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).