7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C14H16FN3 — CID 144845748

IUPAC7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCC1CNCc2cc(-c3cccc(F)c3)nn21
InChIInChI=1S/C14H16FN3/c1-2-12-8-16-9-13-7-14(17-18(12)13)10-4-3-5-11(15)6-10/h3-7,12,16H,2,8-9H2,1H3
InChIKeyWSBVWHUSCSUJII-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.74
Rot. Bonds2

About 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 144845748) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID144845748
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCCC1CNCc2cc(-c3cccc(F)c3)nn21
InChIInChI=1S/C14H16FN3/c1-2-12-8-16-9-13-7-14(17-18(12)13)10-4-3-5-11(15)6-10/h3-7,12,16H,2,8-9H2,1H3
InChIKeyWSBVWHUSCSUJII-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 144845748) is 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CCC1CNCc2cc(-c3cccc(F)c3)nn21.
What is the InChIKey of 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is WSBVWHUSCSUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-12-8-16-9-13-7-14(17-18(12)13)10-4-3-5-11(15)6-10/h3-7,12,16H,2,8-9H2,1H3.
What are the key properties of 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 245.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 144845748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).