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

C14H12F3N3O3 — CID 19530768

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12F3N3O3/c15-14(16,17)12-3-4-20(19-12)8-13(21)18-9-1-2-10-11(7-9)23-6-5-22-10/h1-4,7H,5-6,8H2,(H,18,21)
InChIKeyATYRHSGXVUTNMX-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.31
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530768) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530768
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12F3N3O3/c15-14(16,17)12-3-4-20(19-12)8-13(21)18-9-1-2-10-11(7-9)23-6-5-22-10/h1-4,7H,5-6,8H2,(H,18,21)
InChIKeyATYRHSGXVUTNMX-UHFFFAOYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357043
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527325
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51075276
methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521611
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 5047489
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530768) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ATYRHSGXVUTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c15-14(16,17)12-3-4-20(19-12)8-13(21)18-9-1-2-10-11(7-9)23-6-5-22-10/h1-4,7H,5-6,8H2,(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 327.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).