3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole

C11H8Cl2N2S — CID 83192765

IUPAC3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CSC3)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6H2
InChIKeyFWAAECSXBKCGFK-UHFFFAOYSA-N
MW271.17 g/mol
LogP3.93
Rot. Bonds1

About 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole

3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83192765) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83192765
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CSC3)cc1
InChIInChI=1S/C11H8Cl2N2S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6H2
InChIKeyFWAAECSXBKCGFK-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
CID 83191978
3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83193286
3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192573
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7424034
3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
CID 121030440
2-(azepan-1-yl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxoacetamide
CID 7424033
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
CID 7484081
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4619425
1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 4227708
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide
CID 3711750
3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83191827

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole (CID 83192765) is 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole is Clc1ccc(-n2nc3c(c2Cl)CSC3)cc1.
What is the InChIKey of 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is FWAAECSXBKCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6H2.
What are the key properties of 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 271.17 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83192765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).