N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C18H19N3O3S — CID 51314651

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C18H19N3O3S/c1-4-21(9-12-5-6-14-15(7-12)24-10-23-14)17(22)16-8-13-11(2)19-20(3)18(13)25-16/h5-8H,4,9-10H2,1-3H3
InChIKeyZHGRDEKFBKXVNO-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.33
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51314651) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51314651
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C18H19N3O3S/c1-4-21(9-12-5-6-14-15(7-12)24-10-23-14)17(22)16-8-13-11(2)19-20(3)18(13)25-16/h5-8H,4,9-10H2,1-3H3
InChIKeyZHGRDEKFBKXVNO-UHFFFAOYSA-N
XLogP3.33
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16548225
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60598745
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51324007
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46420836
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-propylamino]acetic acid
CID 61008919
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 29426195
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 51314651) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZHGRDEKFBKXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-21(9-12-5-6-14-15(7-12)24-10-23-14)17(22)16-8-13-11(2)19-20(3)18(13)25-16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51314651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).