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

C11H14FN3O — CID 176703182

IUPAC1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(C)n2nccc2C1C
InChIInChI=1S/C11H14FN3O/c1-7-6-14(11(16)8(2)12)9(3)10-4-5-13-15(7)10/h4-5,7,9H,2,6H2,1,3H3
InChIKeyBWYDDJQAGITTIG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.83
Rot. Bonds1

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

1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one (PubChem CID 176703182) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
PubChem CID176703182
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(C)n2nccc2C1C
InChIInChI=1S/C11H14FN3O/c1-7-6-14(11(16)8(2)12)9(3)10-4-5-13-15(7)10/h4-5,7,9H,2,6H2,1,3H3
InChIKeyBWYDDJQAGITTIG-UHFFFAOYSA-N
XLogP1.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.83
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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Related Compounds

Dipropyl-(4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-amine
CID 11356479
Dipropyl-(S)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11615489
Dipropyl-(R)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11708363
7-((2S,5R)-4-(1-(1-(2,2-difluoroethyl)-1H-pyrazol-5-yl)ethyl)-2,5-diethylpiperazin-1-yl)-4-methyl-2,4-dihydro-5H-pyrazolo[4,3-b]pyridin-5-one
CID 172637045
(6S)-1,6-dimethyl-4-[2-(1-methylpyrazol-3-yl)acetyl]piperazin-2-one
CID 100740847
1-methyl-6-oxo-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]pyridazine-3-carboxamide
CID 124759466
1-(Difluoromethyl)-5-(3-ethylpyrazol-1-yl)pyridin-2-one
CID 90247453
1-[4-[5-(Trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 126758363
2,2,2-Trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130387987
1-(2,6-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 169134154
1-(2-butan-2-yl-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 169134733
2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
CID 169134942

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one (CID 176703182) is 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CC(C)n2nccc2C1C.
What is the InChIKey of 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The InChIKey is BWYDDJQAGITTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-7-6-14(11(16)8(2)12)9(3)10-4-5-13-15(7)10/h4-5,7,9H,2,6H2,1,3H3.
What are the key properties of 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one has a molecular weight of 223.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 176703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).