[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone

C18H23F2N3O3 — CID 154737191

IUPAC[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
SMILESCCc1ccc(C2CCCCCN2C(=O)c2cc(OC(F)F)n(C)n2)o1
InChIInChI=1S/C18H23F2N3O3/c1-3-12-8-9-15(25-12)14-7-5-4-6-10-23(14)17(24)13-11-16(22(2)21-13)26-18(19)20/h8-9,11,14,18H,3-7,10H2,1-2H3
InChIKeyZSLSLZBHRROYNZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.93
Rot. Bonds5

About [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone

[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone (PubChem CID 154737191) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
PubChem CID154737191
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
SMILESCCc1ccc(C2CCCCCN2C(=O)c2cc(OC(F)F)n(C)n2)o1
InChIInChI=1S/C18H23F2N3O3/c1-3-12-8-9-15(25-12)14-7-5-4-6-10-23(14)17(24)13-11-16(22(2)21-13)26-18(19)20/h8-9,11,14,18H,3-7,10H2,1-2H3
InChIKeyZSLSLZBHRROYNZ-UHFFFAOYSA-N
XLogP3.93
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone with MolForge

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Related Compounds

1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 167774935
[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136539919
[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-[5-(methylsulfonylmethyl)furan-2-yl]methanone
CID 96996576
1-[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95633128
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 164639845
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-ethylfuran-2-yl)azepan-1-yl]propan-1-one
CID 56794218
(3aR,7aR)-2-[2-[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124730747
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone (CID 154737191) is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The canonical SMILES for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone is CCc1ccc(C2CCCCCN2C(=O)c2cc(OC(F)F)n(C)n2)o1.
What is the InChIKey of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
The InChIKey is ZSLSLZBHRROYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-3-12-8-9-15(25-12)14-7-5-4-6-10-23(14)17(24)13-11-16(22(2)21-13)26-18(19)20/h8-9,11,14,18H,3-7,10H2,1-2H3.
What are the key properties of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone?
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone has a molecular weight of 367.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone is sourced from PubChem (CID 154737191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).