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

C11H7Cl3N2S — CID 83193286

IUPAC3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CSC3)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2S/c12-6-1-2-10(8(13)3-6)16-11(14)7-4-17-5-9(7)15-16/h1-3H,4-5H2
InChIKeyVVUWSNNWSOZGCZ-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.58
Rot. Bonds1

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

3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83193286) has the molecular formula C11H7Cl3N2S and a molecular weight of 305.62 g/mol. Its IUPAC name is 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83193286
Molecular FormulaC11H7Cl3N2S
Molecular Weight305.62 g/mol
Exact Mass303.94
IUPAC Name3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1ccc(-n2nc3c(c2Cl)CSC3)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2S/c12-6-1-2-10(8(13)3-6)16-11(14)7-4-17-5-9(7)15-16/h1-3H,4-5H2
InChIKeyVVUWSNNWSOZGCZ-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole (CID 83193286) is 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole is Clc1ccc(-n2nc3c(c2Cl)CSC3)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is VVUWSNNWSOZGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2S/c12-6-1-2-10(8(13)3-6)16-11(14)7-4-17-5-9(7)15-16/h1-3H,4-5H2.
What are the key properties of 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole?
3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 305.62 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4-dichlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83193286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).