5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid

C11H12N2O2S — CID 79997238

IUPAC5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cnn(C)c1C
InChIInChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15)16-10(6)8-5-12-13(3)7(8)2/h4-5H,1-3H3,(H,14,15)
InChIKeyTVDBOPUDDGRXEA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.46
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid

5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 79997238) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID79997238
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cnn(C)c1C
InChIInChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15)16-10(6)8-5-12-13(3)7(8)2/h4-5H,1-3H3,(H,14,15)
InChIKeyTVDBOPUDDGRXEA-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid (CID 79997238) is 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1-c1cnn(C)c1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is TVDBOPUDDGRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-4-9(11(14)15)16-10(6)8-5-12-13(3)7(8)2/h4-5H,1-3H3,(H,14,15).
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid?
5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 79997238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).