cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C19H19FN6O — CID 166402382

IUPACcyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(C1CCC1)N1CCn2ncc(-c3cn(-c4ccccc4F)nn3)c2C1
InChIInChI=1S/C19H19FN6O/c20-15-6-1-2-7-17(15)26-11-16(22-23-26)14-10-21-25-9-8-24(12-18(14)25)19(27)13-4-3-5-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2
InChIKeyWRDSONSRYMFSHY-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.41
Rot. Bonds3

About cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 166402382) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID166402382
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Namecyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(C1CCC1)N1CCn2ncc(-c3cn(-c4ccccc4F)nn3)c2C1
InChIInChI=1S/C19H19FN6O/c20-15-6-1-2-7-17(15)26-11-16(22-23-26)14-10-21-25-9-8-24(12-18(14)25)19(27)13-4-3-5-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2
InChIKeyWRDSONSRYMFSHY-UHFFFAOYSA-N
XLogP2.41
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 166402382) is cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(C1CCC1)N1CCn2ncc(-c3cn(-c4ccccc4F)nn3)c2C1.
What is the InChIKey of cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is WRDSONSRYMFSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-6-1-2-7-17(15)26-11-16(22-23-26)14-10-21-25-9-8-24(12-18(14)25)19(27)13-4-3-5-13/h1-2,6-7,10-11,13H,3-5,8-9,12H2.
What are the key properties of cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[1-(2-fluorophenyl)triazol-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 166402382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).