1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C24H23ClN4O2S — CID 55332885

IUPAC1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1
InChIInChI=1S/C24H23ClN4O2S/c1-4-16-8-5-6-11-20(16)26-22(30)14-28(3)23(31)21-13-19-15(2)27-29(24(19)32-21)18-10-7-9-17(25)12-18/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyNQDVJJFWGDNPLL-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.32
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55332885) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55332885
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1
InChIInChI=1S/C24H23ClN4O2S/c1-4-16-8-5-6-11-20(16)26-22(30)14-28(3)23(31)21-13-19-15(2)27-29(24(19)32-21)18-10-7-9-17(25)12-18/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyNQDVJJFWGDNPLL-UHFFFAOYSA-N
XLogP5.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27807970
N-(2-ethylphenyl)-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2006111
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27788265
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
1-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55579571
[2-(2-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16530093
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55388630
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-(2-hydroxyethyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878059
[2-(diethylamino)-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2525175
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 55332885) is 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NQDVJJFWGDNPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-4-16-8-5-6-11-20(16)26-22(30)14-28(3)23(31)21-13-19-15(2)27-29(24(19)32-21)18-10-7-9-17(25)12-18/h5-13H,4,14H2,1-3H3,(H,26,30).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55332885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).