N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

C17H21N3O3 — CID 24793766

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H21N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-4-5-15-16(10-14)23-7-6-22-15/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyOEWPKIGUJAOJHC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.86
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 24793766) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID24793766
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H21N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-4-5-15-16(10-14)23-7-6-22-15/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyOEWPKIGUJAOJHC-UHFFFAOYSA-N
XLogP2.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
CID 24790929
N-(2H-1,3-Benzodioxol-5-YL)-3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamide
CID 24792833
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 841484
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
1-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanoyl]-3,5-dimethyl-1H-pyrazole
CID 2965114
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 5295506
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307831

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 24793766) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is OEWPKIGUJAOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-4-5-15-16(10-14)23-7-6-22-15/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 315.37 g/mol, XLogP of 2.86, 4 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)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 24793766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).