3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide

C20H19N3O3 — CID 46105428

IUPAC3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-3-23-17(20(24)21-15-7-4-13(2)5-8-15)11-16(22-23)14-6-9-18-19(10-14)26-12-25-18/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyTZXHMBYGHQZIBI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.86
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 46105428) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID46105428
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-3-23-17(20(24)21-15-7-4-13(2)5-8-15)11-16(22-23)14-6-9-18-19(10-14)26-12-25-18/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyTZXHMBYGHQZIBI-UHFFFAOYSA-N
XLogP3.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 28622913
methyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetate
CID 7663589
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42754928
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 121051298
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131897060
N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-4-ethylbenzamide
CID 1029375
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide (CID 46105428) is 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide is CCn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is TZXHMBYGHQZIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-23-17(20(24)21-15-7-4-13(2)5-8-15)11-16(22-23)14-6-9-18-19(10-14)26-12-25-18/h4-11H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46105428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).