3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride

C7H13Cl2N3O — CID 138040099

IUPAC3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(Cc2ccn[nH]2)CNC1
InChIInChI=1S/C7H11N3O.2ClH/c11-7(4-8-5-7)3-6-1-2-9-10-6;;/h1-2,8,11H,3-5H2,(H,9,10);2*1H
InChIKeyODGBJXCVFYJJIB-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.13
Rot. Bonds2

About 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride

3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride (PubChem CID 138040099) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride
PubChem CID138040099
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(Cc2ccn[nH]2)CNC1
InChIInChI=1S/C7H11N3O.2ClH/c11-7(4-8-5-7)3-6-1-2-9-10-6;;/h1-2,8,11H,3-5H2,(H,9,10);2*1H
InChIKeyODGBJXCVFYJJIB-UHFFFAOYSA-N
XLogP0.13
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride?
The IUPAC name of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride (CID 138040099) is 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride?
The canonical SMILES for 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride is Cl.Cl.OC1(Cc2ccn[nH]2)CNC1.
What is the InChIKey of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride?
The InChIKey is ODGBJXCVFYJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c11-7(4-8-5-7)3-6-1-2-9-10-6;;/h1-2,8,11H,3-5H2,(H,9,10);2*1H.
What are the key properties of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride?
3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol;dihydrochloride is sourced from PubChem (CID 138040099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).