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

C18H19F2N3O3 — CID 110676188

IUPAC[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCn1nc(C(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O3/c1-22-16(13-10-12(19)2-3-14(13)20)11-15(21-22)17(24)23-6-4-18(5-7-23)25-8-9-26-18/h2-3,10-11H,4-9H2,1H3
InChIKeyVNLFAGLNNAAPPS-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.34
Rot. Bonds2

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

[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110676188) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110676188
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCn1nc(C(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O3/c1-22-16(13-10-12(19)2-3-14(13)20)11-15(21-22)17(24)23-6-4-18(5-7-23)25-8-9-26-18/h2-3,10-11H,4-9H2,1H3
InChIKeyVNLFAGLNNAAPPS-UHFFFAOYSA-N
XLogP2.34
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-fluoro-5-methylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 110336589
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 118215094
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-fluorophenyl)methyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20886562
[2-(2,4-difluoroanilino)-6-methylpyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109331884
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789289
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110676188) is [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cn1nc(C(=O)N2CCC3(CC2)OCCO3)cc1-c1cc(F)ccc1F.
What is the InChIKey of [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is VNLFAGLNNAAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-22-16(13-10-12(19)2-3-14(13)20)11-15(21-22)17(24)23-6-4-18(5-7-23)25-8-9-26-18/h2-3,10-11H,4-9H2,1H3.
What are the key properties of [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 363.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110676188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).