(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone

C19H27N3O2 — CID 134081054

IUPAC(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)C2C(C)NNC2C2CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-13-6-4-5-7-16(13)24-15-10-22(11-15)19(23)17-12(2)20-21-18(17)14-8-9-14/h4-7,12,14-15,17-18,20-21H,3,8-11H2,1-2H3
InChIKeyIJDPWOIJIJACOP-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.73
Rot. Bonds5

About (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone

(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone (PubChem CID 134081054) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
PubChem CID134081054
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)C2C(C)NNC2C2CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-13-6-4-5-7-16(13)24-15-10-22(11-15)19(23)17-12(2)20-21-18(17)14-8-9-14/h4-7,12,14-15,17-18,20-21H,3,8-11H2,1-2H3
InChIKeyIJDPWOIJIJACOP-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
CID 97189362
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
4-[3-(2-ethylphenoxy)azetidin-1-yl]piperidine
CID 56708998
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70723771

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone (CID 134081054) is (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone is CCc1ccccc1OC1CN(C(=O)C2C(C)NNC2C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The InChIKey is IJDPWOIJIJACOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-13-6-4-5-7-16(13)24-15-10-22(11-15)19(23)17-12(2)20-21-18(17)14-8-9-14/h4-7,12,14-15,17-18,20-21H,3,8-11H2,1-2H3.
What are the key properties of (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 134081054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).