2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H17N3O4 — CID 9137727

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O4/c1-9-15(10(2)18(3)17-9)16-14(19)7-20-11-4-5-12-13(6-11)22-8-21-12/h4-6H,7-8H2,1-3H3,(H,16,19)
InChIKeyKEFSXKBEOSTVSC-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.78
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9137727) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9137727
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O4/c1-9-15(10(2)18(3)17-9)16-14(19)7-20-11-4-5-12-13(6-11)22-8-21-12/h4-6H,7-8H2,1-3H3,(H,16,19)
InChIKeyKEFSXKBEOSTVSC-UHFFFAOYSA-N
XLogP1.78
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 17396613
2-(1,3-benzodioxol-5-yloxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 94283082
2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 7894440
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 30710459
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8649207
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9137727) is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KEFSXKBEOSTVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-15(10(2)18(3)17-9)16-14(19)7-20-11-4-5-12-13(6-11)22-8-21-12/h4-6H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9137727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).