3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid

C13H12N4O2S — CID 103294259

IUPAC3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCC(C)c1nn(-c2cccnn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H12N4O2S/c1-7(2)11-8-6-9(13(18)19)20-12(8)17(16-11)10-4-3-5-14-15-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZRAAWZVTWKVOTF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.70
Rot. Bonds3

About 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid

3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 103294259) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID103294259
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCC(C)c1nn(-c2cccnn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H12N4O2S/c1-7(2)11-8-6-9(13(18)19)20-12(8)17(16-11)10-4-3-5-14-15-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZRAAWZVTWKVOTF-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328356
3-(difluoromethyl)-1-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 62892069
3-(methoxymethyl)-1-pyridin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 62318281
1-(3-chlorophenyl)-3-(difluoromethyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 62892421
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 99813723
4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 103293828
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
CID 103294611
3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 81041131
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 16637061
3-phenyl-1-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 61264145
1-(1,1-dioxothiolan-3-yl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328323

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 103294259) is 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid is CC(C)c1nn(-c2cccnn2)c2sc(C(=O)O)cc12.
What is the InChIKey of 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is ZRAAWZVTWKVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7(2)11-8-6-9(13(18)19)20-12(8)17(16-11)10-4-3-5-14-15-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 103294259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).