(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone

C13H21N3O2 — CID 166892282

IUPAC(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(N1CC(OC2CCCCC2)C1)N1CCC=N1
InChIInChI=1S/C13H21N3O2/c17-13(16-8-4-7-14-16)15-9-12(10-15)18-11-5-2-1-3-6-11/h7,11-12H,1-6,8-10H2
InChIKeyAPVYWUOLUKUFIJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds2

About (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone

(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone (PubChem CID 166892282) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone
PubChem CID166892282
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(N1CC(OC2CCCCC2)C1)N1CCC=N1
InChIInChI=1S/C13H21N3O2/c17-13(16-8-4-7-14-16)15-9-12(10-15)18-11-5-2-1-3-6-11/h7,11-12H,1-6,8-10H2
InChIKeyAPVYWUOLUKUFIJ-UHFFFAOYSA-N
XLogP1.83
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;3,4-dihydropyrazol-2-yl-(3-phenoxyazetidin-1-yl)methanone
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1-[4-[1-(3,4-dihydropyrazole-2-carbonyl)azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 167187840
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
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CID 89332762
4-cyclopentyloxy-N-methylpiperidine-1-carboxamide
CID 71687221
O-methyl 3,4-dihydropyrazole-2-carbothioate
CID 175981239
CID 173424592
CID 173424592
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
(4-cyclopentyloxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 119312944
cis-(1S,2R)-2-(4-cyclopentyloxypiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 129467392
(4-cyclohexyloxypiperidin-1-yl)-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 99789161

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone (CID 166892282) is (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone is O=C(N1CC(OC2CCCCC2)C1)N1CCC=N1.
What is the InChIKey of (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is APVYWUOLUKUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-13(16-8-4-7-14-16)15-9-12(10-15)18-11-5-2-1-3-6-11/h7,11-12H,1-6,8-10H2.
What are the key properties of (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone?
(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 166892282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).