[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone

C25H29N3O3 — CID 122677175

IUPAC[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
SMILESCOCCOc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C)cc4)C3)ccc2C)c1C
InChIInChI=1S/C25H29N3O3/c1-16-5-8-19(9-6-16)21-14-28(15-21)25(29)20-10-7-17(2)22(13-20)23-18(3)24(27-26-23)31-12-11-30-4/h5-10,13,21H,11-12,14-15H2,1-4H3,(H,26,27)
InChIKeyOKZCRPFSLXBOAZ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.27
Rot. Bonds7

About [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone

[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone (PubChem CID 122677175) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
PubChem CID122677175
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
SMILESCOCCOc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C)cc4)C3)ccc2C)c1C
InChIInChI=1S/C25H29N3O3/c1-16-5-8-19(9-6-16)21-14-28(15-21)25(29)20-10-7-17(2)22(13-20)23-18(3)24(27-26-23)31-12-11-30-4/h5-10,13,21H,11-12,14-15H2,1-4H3,(H,26,27)
InChIKeyOKZCRPFSLXBOAZ-UHFFFAOYSA-N
XLogP4.27
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)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

4-[1-[3-[3-(2-hydroxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 122677163
4-[1-[5-[3-(cyclopropylmethoxy)-4-methyl-1H-pyrazol-5-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
CID 90066823
[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
CID 123580904
4-[1-[3-(4-chloro-1H-pyrazol-5-yl)-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 90033126
5-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-2-(4-methoxyoxan-4-yl)-1H-imidazole-4-carbonitrile
CID 90033460
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]benzonitrile
CID 123312174
1-(4-methoxyphenyl)-2-[2-methyl-5-[3-[4-(1-methylpyrazol-4-yl)phenyl]azetidine-1-carbonyl]phenyl]ethanone
CID 160520409
[3-(5-chloro-2-propan-2-yl-1H-imidazol-4-yl)-4-methylphenyl]-[3-(4-nitrophenyl)azetidin-1-yl]methanone
CID 135368754
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
(3R,4R)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 93149659
1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 155312962
4-[1-[3-(5-chloro-2-hept-3-ynyl-1H-imidazol-4-yl)-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 123181894

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The IUPAC name of [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone (CID 122677175) is [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The canonical SMILES for [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone is COCCOc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C)cc4)C3)ccc2C)c1C.
What is the InChIKey of [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
The InChIKey is OKZCRPFSLXBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16-5-8-19(9-6-16)21-14-28(15-21)25(29)20-10-7-17(2)22(13-20)23-18(3)24(27-26-23)31-12-11-30-4/h5-10,13,21H,11-12,14-15H2,1-4H3,(H,26,27).
What are the key properties of [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone?
[3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 122677175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).