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

C7H11N3O — CID 138040100

IUPAC3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
SMILESOC1(Cc2ccn[nH]2)CNC1
InChIInChI=1S/C7H11N3O/c11-7(4-8-5-7)3-6-1-2-9-10-6/h1-2,8,11H,3-5H2,(H,9,10)
InChIKeyXJPLEIAWEVAOKG-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.71
Rot. Bonds2

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

3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol (PubChem CID 138040100) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
PubChem CID138040100
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
SMILESOC1(Cc2ccn[nH]2)CNC1
InChIInChI=1S/C7H11N3O/c11-7(4-8-5-7)3-6-1-2-9-10-6/h1-2,8,11H,3-5H2,(H,9,10)
InChIKeyXJPLEIAWEVAOKG-UHFFFAOYSA-N
XLogP-0.71
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.71
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?
The IUPAC name of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol (CID 138040100) is 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
The canonical SMILES for 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol is OC1(Cc2ccn[nH]2)CNC1.
What is the InChIKey of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
The InChIKey is XJPLEIAWEVAOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7(4-8-5-7)3-6-1-2-9-10-6/h1-2,8,11H,3-5H2,(H,9,10).
What are the key properties of 3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
3-(1H-pyrazol-5-ylmethyl)azetidin-3-ol has a molecular weight of 153.19 g/mol, XLogP of -0.71, 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 is sourced from PubChem (CID 138040100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).