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

C19H15Cl2N3O2S — CID 4619425

IUPAC2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C19H15Cl2N3O2S/c20-12-1-5-14(6-2-12)24-19(16-10-27-11-17(16)23-24)22-18(25)9-26-15-7-3-13(21)4-8-15/h1-8H,9-11H2,(H,22,25)
InChIKeySZIRRDVWCRZMIV-UHFFFAOYSA-N
MW420.32 g/mol
LogP4.94
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 4619425) has the molecular formula C19H15Cl2N3O2S and a molecular weight of 420.32 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID4619425
Molecular FormulaC19H15Cl2N3O2S
Molecular Weight420.32 g/mol
Exact Mass419.03
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C19H15Cl2N3O2S/c20-12-1-5-14(6-2-12)24-19(16-10-27-11-17(16)23-24)22-18(25)9-26-15-7-3-13(21)4-8-15/h1-8H,9-11H2,(H,22,25)
InChIKeySZIRRDVWCRZMIV-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
CID 7484081
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenoxy)acetamide
CID 7484156
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 40868518
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7484044
2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484023
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 2050910
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121030444
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 7484218
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide
CID 3399728
1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 4227708
2-(3-methoxyphenoxy)-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40868787
3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 4619425) is 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is SZIRRDVWCRZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S/c20-12-1-5-14(6-2-12)24-19(16-10-27-11-17(16)23-24)22-18(25)9-26-15-7-3-13(21)4-8-15/h1-8H,9-11H2,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 420.32 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 4619425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).