5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane

C10H19N3 — CID 144669865

IUPAC5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane
SMILESCC.Cc1cc(C2CNC2)n(C)n1
InChIInChI=1S/C8H13N3.C2H6/c1-6-3-8(11(2)10-6)7-4-9-5-7;1-2/h3,7,9H,4-5H2,1-2H3;1-2H3
InChIKeyHJWIECGJRAFULR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.44
Rot. Bonds1

About 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane

5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane (PubChem CID 144669865) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane
PubChem CID144669865
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane
SMILESCC.Cc1cc(C2CNC2)n(C)n1
InChIInChI=1S/C8H13N3.C2H6/c1-6-3-8(11(2)10-6)7-4-9-5-7;1-2/h3,7,9H,4-5H2,1-2H3;1-2H3
InChIKeyHJWIECGJRAFULR-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane?
The IUPAC name of 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane (CID 144669865) is 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane.
What is the SMILES notation for 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane?
The canonical SMILES for 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane is CC.Cc1cc(C2CNC2)n(C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane?
The InChIKey is HJWIECGJRAFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-6-3-8(11(2)10-6)7-4-9-5-7;1-2/h3,7,9H,4-5H2,1-2H3;1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane?
5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane has a molecular weight of 181.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1,3-dimethylpyrazole;ethane is sourced from PubChem (CID 144669865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).