N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide

C14H15N3O3 — CID 6467973

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H15N3O3/c1-2-17-6-5-11(16-17)14(18)15-8-10-3-4-12-13(7-10)20-9-19-12/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyBWWADCJKRFHDLE-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.56
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 6467973) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide
PubChem CID6467973
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H15N3O3/c1-2-17-6-5-11(16-17)14(18)15-8-10-3-4-12-13(7-10)20-9-19-12/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyBWWADCJKRFHDLE-UHFFFAOYSA-N
XLogP1.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2811299
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 723663
N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6874720
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875071
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875077
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6891040
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
5-[2-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146597651
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 1009407
N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide
CID 2161731

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide (CID 6467973) is N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is BWWADCJKRFHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17-6-5-11(16-17)14(18)15-8-10-3-4-12-13(7-10)20-9-19-12/h3-7H,2,8-9H2,1H3,(H,15,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 6467973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).