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

C15H17N3O2 — CID 103119390

IUPAC3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
SMILESCC1CC(=O)C(C(=O)c2cnn3ccncc23)C(C)C1
InChIInChI=1S/C15H17N3O2/c1-9-5-10(2)14(13(19)6-9)15(20)11-7-17-18-4-3-16-8-12(11)18/h3-4,7-10,14H,5-6H2,1-2H3
InChIKeyIOZWCLGEVCBWQX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.16
Rot. Bonds2

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

3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one (PubChem CID 103119390) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
PubChem CID103119390
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
SMILESCC1CC(=O)C(C(=O)c2cnn3ccncc23)C(C)C1
InChIInChI=1S/C15H17N3O2/c1-9-5-10(2)14(13(19)6-9)15(20)11-7-17-18-4-3-16-8-12(11)18/h3-4,7-10,14H,5-6H2,1-2H3
InChIKeyIOZWCLGEVCBWQX-UHFFFAOYSA-N
XLogP2.16
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.16
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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Related Compounds

2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one
CID 103119421
4-propyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one
CID 103119278
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122741
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
N-(2-hydroxycyclohexyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120374
(3,5-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124988
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one (CID 103119390) is 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one is CC1CC(=O)C(C(=O)c2cnn3ccncc23)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
The InChIKey is IOZWCLGEVCBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-10(2)14(13(19)6-9)15(20)11-7-17-18-4-3-16-8-12(11)18/h3-4,7-10,14H,5-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one?
3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 103119390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).