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

C7H11N3O — CID 82416866

IUPAC1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
SMILESOC1CN(Cc2ccn[nH]2)C1
InChIInChI=1S/C7H11N3O/c11-7-4-10(5-7)3-6-1-2-8-9-6/h1-2,7,11H,3-5H2,(H,8,9)
InChIKeyAMXMUOQPTBOXQW-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.41
Rot. Bonds2

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

1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol (PubChem CID 82416866) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
PubChem CID82416866
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
SMILESOC1CN(Cc2ccn[nH]2)C1
InChIInChI=1S/C7H11N3O/c11-7-4-10(5-7)3-6-1-2-8-9-6/h1-2,7,11H,3-5H2,(H,8,9)
InChIKeyAMXMUOQPTBOXQW-UHFFFAOYSA-N
XLogP-0.41
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol (CID 82416866) is 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol is OC1CN(Cc2ccn[nH]2)C1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
The InChIKey is AMXMUOQPTBOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7-4-10(5-7)3-6-1-2-8-9-6/h1-2,7,11H,3-5H2,(H,8,9).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol?
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol has a molecular weight of 153.19 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 82416866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).