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

C12H7F2N3O2S — CID 62892069

IUPAC3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)F)nn(-c3ccccn3)c2s1
InChIInChI=1S/C12H7F2N3O2S/c13-10(14)9-6-5-7(12(18)19)20-11(6)17(16-9)8-3-1-2-4-15-8/h1-5,10H,(H,18,19)
InChIKeyYZEQMPXHGHFAOS-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.12
Rot. Bonds3

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

3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 62892069) has the molecular formula C12H7F2N3O2S and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID62892069
Molecular FormulaC12H7F2N3O2S
Molecular Weight295.27 g/mol
Exact Mass295.02
IUPAC Name3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)F)nn(-c3ccccn3)c2s1
InChIInChI=1S/C12H7F2N3O2S/c13-10(14)9-6-5-7(12(18)19)20-11(6)17(16-9)8-3-1-2-4-15-8/h1-5,10H,(H,18,19)
InChIKeyYZEQMPXHGHFAOS-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 62892069) is 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is O=C(O)c1cc2c(C(F)F)nn(-c3ccccn3)c2s1.
What is the InChIKey of 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is YZEQMPXHGHFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O2S/c13-10(14)9-6-5-7(12(18)19)20-11(6)17(16-9)8-3-1-2-4-15-8/h1-5,10H,(H,18,19).
What are the key properties of 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 62892069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).