1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one

C18H23N3O2 — CID 70723771

IUPAC1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCc1ccccc1OC1CN(C(=O)C(CC)n2cccn2)C1
InChIInChI=1S/C18H23N3O2/c1-3-14-8-5-6-9-17(14)23-15-12-20(13-15)18(22)16(4-2)21-11-7-10-19-21/h5-11,15-16H,3-4,12-13H2,1-2H3
InChIKeyNFKWYBAVHFEROV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds6

About 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one

1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 70723771) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID70723771
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCc1ccccc1OC1CN(C(=O)C(CC)n2cccn2)C1
InChIInChI=1S/C18H23N3O2/c1-3-14-8-5-6-9-17(14)23-15-12-20(13-15)18(22)16(4-2)21-11-7-10-19-21/h5-11,15-16H,3-4,12-13H2,1-2H3
InChIKeyNFKWYBAVHFEROV-UHFFFAOYSA-N
XLogP2.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
(2R)-1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyrazol-1-ylbutan-1-one
CID 125447708
(2S)-1-[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-2-pyrazol-1-ylbutan-1-one
CID 95710052
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 72899316

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 70723771) is 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCc1ccccc1OC1CN(C(=O)C(CC)n2cccn2)C1.
What is the InChIKey of 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is NFKWYBAVHFEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-14-8-5-6-9-17(14)23-15-12-20(13-15)18(22)16(4-2)21-11-7-10-19-21/h5-11,15-16H,3-4,12-13H2,1-2H3.
What are the key properties of 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 70723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).