2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid

C7H4F2N2O2S — CID 165394840

IUPAC2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2nn(C(F)F)cc2s1
InChIInChI=1S/C7H4F2N2O2S/c8-7(9)11-2-5-3(10-11)1-4(14-5)6(12)13/h1-2,7H,(H,12,13)
InChIKeyNUZXCDDQXFLVFL-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.19
Rot. Bonds2

About 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid

2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 165394840) has the molecular formula C7H4F2N2O2S and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid
PubChem CID165394840
Molecular FormulaC7H4F2N2O2S
Molecular Weight218.18 g/mol
Exact Mass218.00
IUPAC Name2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2nn(C(F)F)cc2s1
InChIInChI=1S/C7H4F2N2O2S/c8-7(9)11-2-5-3(10-11)1-4(14-5)6(12)13/h1-2,7H,(H,12,13)
InChIKeyNUZXCDDQXFLVFL-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid (CID 165394840) is 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid is O=C(O)c1cc2nn(C(F)F)cc2s1.
What is the InChIKey of 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is NUZXCDDQXFLVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2S/c8-7(9)11-2-5-3(10-11)1-4(14-5)6(12)13/h1-2,7H,(H,12,13).
What are the key properties of 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid?
2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 218.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 165394840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).