2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide

C19H19N3O4 — CID 9166056

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)Cc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C19H19N3O4/c1-13-2-4-15(26-13)12-22-18(6-7-20-22)21-19(23)11-14-3-5-16-17(10-14)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyZNLJBCKJTNYOKL-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.79
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide (PubChem CID 9166056) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
PubChem CID9166056
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccc(Cn2nccc2NC(=O)Cc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C19H19N3O4/c1-13-2-4-15(26-13)12-22-18(6-7-20-22)21-19(23)11-14-3-5-16-17(10-14)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyZNLJBCKJTNYOKL-UHFFFAOYSA-N
XLogP2.79
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24555905
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46616697
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 16575024
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 38994894
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
CID 71883351
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99703802
2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 71885828
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-2-methylphenyl)acetamide
CID 110612495

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide (CID 9166056) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide is Cc1ccc(Cn2nccc2NC(=O)Cc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is ZNLJBCKJTNYOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-2-4-15(26-13)12-22-18(6-7-20-22)21-19(23)11-14-3-5-16-17(10-14)25-9-8-24-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 9166056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).