[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H19N3O3 — CID 71924902

IUPAC[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOCCCOC1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O3/c1-14-7-10(6-13-14)12(16)15-8-11(9-15)18-5-3-4-17-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyUQXFJYITMLLLRJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.30
Rot. Bonds6

About [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 71924902) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID71924902
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOCCCOC1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O3/c1-14-7-10(6-13-14)12(16)15-8-11(9-15)18-5-3-4-17-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyUQXFJYITMLLLRJ-UHFFFAOYSA-N
XLogP0.30
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-1H-pyrazole-4-carbaldehyde
CID 23033398
tert-butyl 3-(4-formyl-1H-pyrazol-1-yl)azetidine-1-carboxylate
CID 105509268
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110197183
1-methyl-N,N-dipropylpyrazole-4-carboxamide
CID 51073390
N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 51073398
N-(1-methoxypropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 53532136
Ethyl 2-[(1-methylpyrazole-4-carbonyl)-propylamino]acetate
CID 54898713
Ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
CID 54901462
1-isopropyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 56722291
1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 71933275

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 71924902) is [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is COCCCOC1CN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is UQXFJYITMLLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-7-10(6-13-14)12(16)15-8-11(9-15)18-5-3-4-17-2/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71924902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).