3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol

C9H15N3O — CID 103006388

IUPAC3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
SMILESCn1cc(CCC2(O)CNC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-9(13)6-10-7-9/h4-5,10,13H,2-3,6-7H2,1H3
InChIKeyGRJIBSAIUMPGQE-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.31
Rot. Bonds3

About 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol

3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol (PubChem CID 103006388) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
PubChem CID103006388
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
SMILESCn1cc(CCC2(O)CNC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-9(13)6-10-7-9/h4-5,10,13H,2-3,6-7H2,1H3
InChIKeyGRJIBSAIUMPGQE-UHFFFAOYSA-N
XLogP-0.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019200
4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019208
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-[2-(1-methylpyrazol-4-yl)ethyl]-1-propylazepan-4-ol
CID 103006333
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
4-[2-[3-(2-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019212

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol (CID 103006388) is 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol is Cn1cc(CCC2(O)CNC2)cn1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The InChIKey is GRJIBSAIUMPGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-5-8(4-11-12)2-3-9(13)6-10-7-9/h4-5,10,13H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol has a molecular weight of 181.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol is sourced from PubChem (CID 103006388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).