1-(azetidin-3-ylmethyl)-4-ethoxypyrazole

C9H15N3O — CID 117125073

IUPAC1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
SMILESCCOc1cnn(CC2CNC2)c1
InChIInChI=1S/C9H15N3O/c1-2-13-9-5-11-12(7-9)6-8-3-10-4-8/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOIXZOAXLPQMEFS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.50
Rot. Bonds4

About 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole

1-(azetidin-3-ylmethyl)-4-ethoxypyrazole (PubChem CID 117125073) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
PubChem CID117125073
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
SMILESCCOc1cnn(CC2CNC2)c1
InChIInChI=1S/C9H15N3O/c1-2-13-9-5-11-12(7-9)6-8-3-10-4-8/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOIXZOAXLPQMEFS-UHFFFAOYSA-N
XLogP0.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
2-(4-ethoxypyrazol-1-yl)acetaldehyde
CID 117124915
2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
CID 117231622
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
CID 164576556
2-[(4-methoxypyrazol-1-yl)methyl]morpholine
CID 130511290
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
CID 115055512
1-(azetidin-3-ylmethyl)-4-(4-bromophenyl)pyrazole
CID 84814984
4-methoxy-1-(oxiran-2-ylmethyl)pyrazole
CID 130511286
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole (CID 117125073) is 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole is CCOc1cnn(CC2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole?
The InChIKey is OIXZOAXLPQMEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-9-5-11-12(7-9)6-8-3-10-4-8/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole?
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole has a molecular weight of 181.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-ethoxypyrazole is sourced from PubChem (CID 117125073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).