2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide

C15H17N3O3 — CID 72899893

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17N3O3/c1-9-15(10(2)18(17-9)8-14(16)19)11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyJWPQMIINSGPIGM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 72899893) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID72899893
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H17N3O3/c1-9-15(10(2)18(17-9)8-14(16)19)11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19)
InChIKeyJWPQMIINSGPIGM-UHFFFAOYSA-N
XLogP1.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide (CID 72899893) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(N)=O)c(C)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is JWPQMIINSGPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-15(10(2)18(17-9)8-14(16)19)11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 72899893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).