1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

C12H8BrN3O2S — CID 65348138

IUPAC1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(Br)cn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C12H8BrN3O2S/c1-6-8-4-9(12(17)18)19-11(8)16(15-6)10-3-2-7(13)5-14-10/h2-5H,1H3,(H,17,18)
InChIKeyCVVHOWSBPWCQOD-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.25
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 65348138) has the molecular formula C12H8BrN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID65348138
Molecular FormulaC12H8BrN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.95
IUPAC Name1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(Br)cn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C12H8BrN3O2S/c1-6-8-4-9(12(17)18)19-11(8)16(15-6)10-3-2-7(13)5-14-10/h2-5H,1H3,(H,17,18)
InChIKeyCVVHOWSBPWCQOD-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid 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 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 65348138) is 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(-c2ccc(Br)cn2)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is CVVHOWSBPWCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2S/c1-6-8-4-9(12(17)18)19-11(8)16(15-6)10-3-2-7(13)5-14-10/h2-5H,1H3,(H,17,18).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 338.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 65348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).