N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide

C14H15N3O3 — CID 5301257

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C
InChIInChI=1S/C14H15N3O3/c1-9-11(8-15-17(9)2)14(18)16-10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyCNFJQRYOZISEMO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.75
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 5301257) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID5301257
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C
InChIInChI=1S/C14H15N3O3/c1-9-11(8-15-17(9)2)14(18)16-10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyCNFJQRYOZISEMO-UHFFFAOYSA-N
XLogP1.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide (CID 5301257) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is CNFJQRYOZISEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-11(8-15-17(9)2)14(18)16-10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.75, 2 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)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 5301257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).