(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone

C18H19Cl2N3O2 — CID 154764317

IUPAC(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c(C2CCC2)n1
InChIInChI=1S/C18H19Cl2N3O2/c1-22-10-13(17(21-22)11-4-2-5-11)18(24)23-8-12(9-23)25-15-7-3-6-14(19)16(15)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyLDAPUIGBXFEGAM-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.90
Rot. Bonds4

About (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone

(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone (PubChem CID 154764317) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone
PubChem CID154764317
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c(C2CCC2)n1
InChIInChI=1S/C18H19Cl2N3O2/c1-22-10-13(17(21-22)11-4-2-5-11)18(24)23-8-12(9-23)25-15-7-3-6-14(19)16(15)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyLDAPUIGBXFEGAM-UHFFFAOYSA-N
XLogP3.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone 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

1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329829
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 136533760
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 99903022
(3S,4S)-1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952941

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone?
The IUPAC name of (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone (CID 154764317) is (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone?
The canonical SMILES for (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone is Cn1cc(C(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)c(C2CCC2)n1.
What is the InChIKey of (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone?
The InChIKey is LDAPUIGBXFEGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-22-10-13(17(21-22)11-4-2-5-11)18(24)23-8-12(9-23)25-15-7-3-6-14(19)16(15)20/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone?
(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone has a molecular weight of 380.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 154764317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).