[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C20H25N3O5 — CID 42759085

IUPAC[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)n(C)n2)c(OC)c1
InChIInChI=1S/C20H25N3O5/c1-22-17(19(24)23-8-6-20(7-9-23)27-10-11-28-20)13-16(21-22)15-5-4-14(25-2)12-18(15)26-3/h4-5,12-13H,6-11H2,1-3H3
InChIKeySZCYFPIIJYZCGS-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.08
Rot. Bonds4

About [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 42759085) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID42759085
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)n(C)n2)c(OC)c1
InChIInChI=1S/C20H25N3O5/c1-22-17(19(24)23-8-6-20(7-9-23)27-10-11-28-20)13-16(21-22)15-5-4-14(25-2)12-18(15)26-3/h4-5,12-13H,6-11H2,1-3H3
InChIKeySZCYFPIIJYZCGS-UHFFFAOYSA-N
XLogP2.08
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
ethyl 4-[3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759088
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 3983305
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 121084114
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342901
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105329
(4-cyclopropylsulfonylpiperazin-1-yl)-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121089087
3-(2,4-dimethoxyanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028411
N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide
CID 113130107

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 42759085) is [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)n(C)n2)c(OC)c1.
What is the InChIKey of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SZCYFPIIJYZCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-22-17(19(24)23-8-6-20(7-9-23)27-10-11-28-20)13-16(21-22)15-5-4-14(25-2)12-18(15)26-3/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 42759085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).