[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C23H25N3O3 — CID 3879205

IUPAC[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C23H25N3O3/c1-16-7-8-21(17(2)13-16)26-22(23(27)25-9-11-29-12-10-25)15-20(24-26)18-5-4-6-19(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyWHCOOZIQRGPKFC-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.64
Rot. Bonds4

About [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3879205) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3879205
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C23H25N3O3/c1-16-7-8-21(17(2)13-16)26-22(23(27)25-9-11-29-12-10-25)15-20(24-26)18-5-4-6-19(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyWHCOOZIQRGPKFC-UHFFFAOYSA-N
XLogP3.64
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3999491
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4010545
[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 7218409
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42759046
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
[1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42660638
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759058
ethyl 1-[1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4211576
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 3879205) is [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is COc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccc(C)cc3C)n2)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is WHCOOZIQRGPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-7-8-21(17(2)13-16)26-22(23(27)25-9-11-29-12-10-25)15-20(24-26)18-5-4-6-19(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 391.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3879205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).