1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one

C15H23N3O — CID 176702615

IUPAC1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1Cc2cc(C(C)CC)nn2C(C)C1C
InChIInChI=1S/C15H23N3O/c1-6-10(3)14-8-13-9-17(15(19)7-2)11(4)12(5)18(13)16-14/h7-8,10-12H,2,6,9H2,1,3-5H3
InChIKeyKFQVSRASHNKNRY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one

1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (PubChem CID 176702615) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
PubChem CID176702615
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1Cc2cc(C(C)CC)nn2C(C)C1C
InChIInChI=1S/C15H23N3O/c1-6-10(3)14-8-13-9-17(15(19)7-2)11(4)12(5)18(13)16-14/h7-8,10-12H,2,6,9H2,1,3-5H3
InChIKeyKFQVSRASHNKNRY-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (CID 176702615) is 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is C=CC(=O)N1Cc2cc(C(C)CC)nn2C(C)C1C.
What is the InChIKey of 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The InChIKey is KFQVSRASHNKNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-10(3)14-8-13-9-17(15(19)7-2)11(4)12(5)18(13)16-14/h7-8,10-12H,2,6,9H2,1,3-5H3.
What are the key properties of 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 176702615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).