1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen

C10H19F2N3 — CID 143151376

IUPAC1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen
SMILESCC.CC(F)(F)c1ccnn1C1CNC1.[H][H]
InChIInChI=1S/C8H11F2N3.C2H6.H2/c1-8(9,10)7-2-3-12-13(7)6-4-11-5-6;1-2;/h2-3,6,11H,4-5H2,1H3;1-2H3;1H
InChIKeyHBXMYGXWUGBATD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds2

About 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen

1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen (PubChem CID 143151376) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen
PubChem CID143151376
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen
SMILESCC.CC(F)(F)c1ccnn1C1CNC1.[H][H]
InChIInChI=1S/C8H11F2N3.C2H6.H2/c1-8(9,10)7-2-3-12-13(7)6-4-11-5-6;1-2;/h2-3,6,11H,4-5H2,1H3;1-2H3;1H
InChIKeyHBXMYGXWUGBATD-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen?
The IUPAC name of 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen (CID 143151376) is 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen.
What is the SMILES notation for 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen?
The canonical SMILES for 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen is CC.CC(F)(F)c1ccnn1C1CNC1.[H][H].
What is the InChIKey of 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen?
The InChIKey is HBXMYGXWUGBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3.C2H6.H2/c1-8(9,10)7-2-3-12-13(7)6-4-11-5-6;1-2;/h2-3,6,11H,4-5H2,1H3;1-2H3;1H.
What are the key properties of 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen?
1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen has a molecular weight of 219.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen is sourced from PubChem (CID 143151376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).