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

C8H6F2N2O2S — CID 62892068

IUPAC3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(C(F)F)c2cc(C(=O)O)sc21
InChIInChI=1S/C8H6F2N2O2S/c1-12-7-3(5(11-12)6(9)10)2-4(15-7)8(13)14/h2,6H,1H3,(H,13,14)
InChIKeyCMJKZRUOCIQZHG-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.27
Rot. Bonds2

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

3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 62892068) has the molecular formula C8H6F2N2O2S and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID62892068
Molecular FormulaC8H6F2N2O2S
Molecular Weight232.21 g/mol
Exact Mass232.01
IUPAC Name3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(C(F)F)c2cc(C(=O)O)sc21
InChIInChI=1S/C8H6F2N2O2S/c1-12-7-3(5(11-12)6(9)10)2-4(15-7)8(13)14/h2,6H,1H3,(H,13,14)
InChIKeyCMJKZRUOCIQZHG-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 62892068) is 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid is Cn1nc(C(F)F)c2cc(C(=O)O)sc21.
What is the InChIKey of 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is CMJKZRUOCIQZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2S/c1-12-7-3(5(11-12)6(9)10)2-4(15-7)8(13)14/h2,6H,1H3,(H,13,14).
What are the key properties of 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 62892068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).