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

C10H12FN3O — CID 169134942

IUPAC2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCn2nc(C)cc2C1
InChIInChI=1S/C10H12FN3O/c1-7-5-9-6-13(10(15)8(2)11)3-4-14(9)12-7/h5H,2-4,6H2,1H3
InChIKeyQAWRMHWVDQBRLU-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.02
Rot. Bonds1

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

2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (PubChem CID 169134942) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
PubChem CID169134942
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCn2nc(C)cc2C1
InChIInChI=1S/C10H12FN3O/c1-7-5-9-6-13(10(15)8(2)11)3-4-14(9)12-7/h5H,2-4,6H2,1H3
InChIKeyQAWRMHWVDQBRLU-UHFFFAOYSA-N
XLogP1.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.02
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 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one (CID 169134942) is 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is C=C(F)C(=O)N1CCn2nc(C)cc2C1.
What is the InChIKey of 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
The InChIKey is QAWRMHWVDQBRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-7-5-9-6-13(10(15)8(2)11)3-4-14(9)12-7/h5H,2-4,6H2,1H3.
What are the key properties of 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one?
2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one has a molecular weight of 209.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 169134942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).