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

C11H14FN3O — CID 176702787

IUPAC1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCn2nc(CC)cc2C1
InChIInChI=1S/C11H14FN3O/c1-3-9-6-10-7-14(11(16)8(2)12)4-5-15(10)13-9/h6H,2-5,7H2,1H3
InChIKeyWOYCHPGMMBIEDV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.27
Rot. Bonds2

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

1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one (PubChem CID 176702787) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
PubChem CID176702787
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCn2nc(CC)cc2C1
InChIInChI=1S/C11H14FN3O/c1-3-9-6-10-7-14(11(16)8(2)12)4-5-15(10)13-9/h6H,2-5,7H2,1H3
InChIKeyWOYCHPGMMBIEDV-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.27
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

CID 649724
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CID 2256952
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CID 813456
CID 813456
CID 56905985
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CID 3437189
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CID 4768346
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CID 20677309
CID 20677309
CID 20677313
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CID 89575575
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one (CID 176702787) is 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CCn2nc(CC)cc2C1.
What is the InChIKey of 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
The InChIKey is WOYCHPGMMBIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-3-9-6-10-7-14(11(16)8(2)12)4-5-15(10)13-9/h6H,2-5,7H2,1H3.
What are the key properties of 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one?
1-(2-ethyl-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 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 176702787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).