N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide

C15H16ClN3O2S — CID 7484081

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C15H16ClN3O2S/c1-2-21-7-14(20)17-15-12-8-22-9-13(12)18-19(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3,(H,17,20)
InChIKeyIZHBXDVJTRGCGM-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide (PubChem CID 7484081) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
PubChem CID7484081
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C15H16ClN3O2S/c1-2-21-7-14(20)17-15-12-8-22-9-13(12)18-19(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3,(H,17,20)
InChIKeyIZHBXDVJTRGCGM-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide (CID 7484081) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide is CCOCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide?
The InChIKey is IZHBXDVJTRGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-2-21-7-14(20)17-15-12-8-22-9-13(12)18-19(15)11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide has a molecular weight of 337.83 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 7484081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).