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

C15H23N3O — CID 176703184

IUPAC1-(2-tert-butyl-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)(C)C)nn2C(C)C1C
InChIInChI=1S/C15H23N3O/c1-7-14(19)17-9-12-8-13(15(4,5)6)16-18(12)11(3)10(17)2/h7-8,10-11H,1,9H2,2-6H3
InChIKeyYTBXIIBVLBODKT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds1

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

1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (PubChem CID 176703184) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
PubChem CID176703184
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-tert-butyl-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)(C)C)nn2C(C)C1C
InChIInChI=1S/C15H23N3O/c1-7-14(19)17-9-12-8-13(15(4,5)6)16-18(12)11(3)10(17)2/h7-8,10-11H,1,9H2,2-6H3
InChIKeyYTBXIIBVLBODKT-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(2-tert-butyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 176827691
1-[(2R)-4-(2-tert-butylpyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889355
ethane;1-(2-ethyl-4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
CID 176701663
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112
1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]prop-2-en-1-one
CID 166406899
1-[(6S,7S)-2-[4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-(2,3-dimethylindazol-6-yl)-3-fluorothieno[2,3-c]pyridin-5-yl]-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 176703298
methyl 3-tert-butyl-1-cyclooctylpyrazole-5-carboxylate
CID 139229092
1-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 59396303
2-tert-butyl-5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 142538383
1-[(2R)-4-(2,6-dimethoxypyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889356

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-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-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (CID 176703184) is 1-(2-tert-butyl-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-tert-butyl-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-tert-butyl-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)(C)C)nn2C(C)C1C.
What is the InChIKey of 1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The InChIKey is YTBXIIBVLBODKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-7-14(19)17-9-12-8-13(15(4,5)6)16-18(12)11(3)10(17)2/h7-8,10-11H,1,9H2,2-6H3.
What are the key properties of 1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
1-(2-tert-butyl-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 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 176703184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).