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

C11H8BrClN2S — CID 83191978

IUPAC2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1c2c(nn1-c1ccc(Br)cc1)CSC2
InChIInChI=1S/C11H8BrClN2S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6H2
InChIKeySRRCPNOWAYRJAI-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.03
Rot. Bonds1

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

2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83191978) has the molecular formula C11H8BrClN2S and a molecular weight of 315.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83191978
Molecular FormulaC11H8BrClN2S
Molecular Weight315.62 g/mol
Exact Mass313.93
IUPAC Name2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1c2c(nn1-c1ccc(Br)cc1)CSC2
InChIInChI=1S/C11H8BrClN2S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6H2
InChIKeySRRCPNOWAYRJAI-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole (CID 83191978) is 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole is Clc1c2c(nn1-c1ccc(Br)cc1)CSC2.
What is the InChIKey of 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is SRRCPNOWAYRJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2S/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 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole?
2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 315.62 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-chloro-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83191978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).