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

C10H10N2O2S — CID 144929998

IUPAC4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid
SMILESCc1cnn(C)c1-c1csc(C(=O)O)c1
InChIInChI=1S/C10H10N2O2S/c1-6-4-11-12(2)9(6)7-3-8(10(13)14)15-5-7/h3-5H,1-2H3,(H,13,14)
InChIKeyXVGALXRUCPLUKI-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.16
Rot. Bonds2

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

4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 144929998) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID144929998
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid
SMILESCc1cnn(C)c1-c1csc(C(=O)O)c1
InChIInChI=1S/C10H10N2O2S/c1-6-4-11-12(2)9(6)7-3-8(10(13)14)15-5-7/h3-5H,1-2H3,(H,13,14)
InChIKeyXVGALXRUCPLUKI-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid (CID 144929998) is 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid is Cc1cnn(C)c1-c1csc(C(=O)O)c1.
What is the InChIKey of 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is XVGALXRUCPLUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-4-11-12(2)9(6)7-3-8(10(13)14)15-5-7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid?
4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 144929998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).