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

C8H15Cl2N3 — CID 47000791

IUPAC1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride
SMILESCc1cc(C)n(C2CNC2)n1.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-6-3-7(2)11(10-6)8-4-9-5-8;;/h3,8-9H,4-5H2,1-2H3;2*1H
InChIKeyDMHQQQXFDORIKH-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.49
Rot. Bonds1

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

1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride (PubChem CID 47000791) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride
PubChem CID47000791
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride
SMILESCc1cc(C)n(C2CNC2)n1.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-6-3-7(2)11(10-6)8-4-9-5-8;;/h3,8-9H,4-5H2,1-2H3;2*1H
InChIKeyDMHQQQXFDORIKH-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.49
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)-3,5-dimethylpyrazole;dihydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride (CID 47000791) is 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride is Cc1cc(C)n(C2CNC2)n1.Cl.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride?
The InChIKey is DMHQQQXFDORIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-6-3-7(2)11(10-6)8-4-9-5-8;;/h3,8-9H,4-5H2,1-2H3;2*1H.
What are the key properties of 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride?
1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3,5-dimethylpyrazole;dihydrochloride is sourced from PubChem (CID 47000791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).