N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide

C20H23N3O3S — CID 42878892

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1-c1cccs1
InChIInChI=1S/C20H23N3O3S/c1-4-23-16(19-6-5-11-27-19)13-15(22-23)20(24)21-10-9-14-7-8-17(25-2)18(12-14)26-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyOITUOJOICSDUHC-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.62
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 42878892) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID42878892
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1-c1cccs1
InChIInChI=1S/C20H23N3O3S/c1-4-23-16(19-6-5-11-27-19)13-15(22-23)20(24)21-10-9-14-7-8-17(25-2)18(12-14)26-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyOITUOJOICSDUHC-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60618527
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5031868
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267592

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 42878892) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide is CCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1-c1cccs1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is OITUOJOICSDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-23-16(19-6-5-11-27-19)13-15(22-23)20(24)21-10-9-14-7-8-17(25-2)18(12-14)26-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 42878892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).