3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride

C7H13Cl2N3O — CID 126809464

IUPAC3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1(O)CNC1
InChIInChI=1S/C7H11N3O.2ClH/c1-10-6(2-3-9-10)7(11)4-8-5-7;;/h2-3,8,11H,4-5H2,1H3;2*1H
InChIKeyFXCFIVGDVIQBJV-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.05
Rot. Bonds1

About 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride

3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride (PubChem CID 126809464) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride
PubChem CID126809464
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1(O)CNC1
InChIInChI=1S/C7H11N3O.2ClH/c1-10-6(2-3-9-10)7(11)4-8-5-7;;/h2-3,8,11H,4-5H2,1H3;2*1H
InChIKeyFXCFIVGDVIQBJV-UHFFFAOYSA-N
XLogP0.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride?
The IUPAC name of 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride (CID 126809464) is 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride is Cl.Cl.Cn1nccc1C1(O)CNC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride?
The InChIKey is FXCFIVGDVIQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c1-10-6(2-3-9-10)7(11)4-8-5-7;;/h2-3,8,11H,4-5H2,1H3;2*1H.
What are the key properties of 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride?
3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)azetidin-3-ol;dihydrochloride is sourced from PubChem (CID 126809464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).