5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid

C13H14N2O2S — CID 69022261

IUPAC5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid
SMILESC=C(C)c1cnn(C)c1-c1cc(C(=O)O)sc1C
InChIInChI=1S/C13H14N2O2S/c1-7(2)10-6-14-15(4)12(10)9-5-11(13(16)17)18-8(9)3/h5-6H,1H2,2-4H3,(H,16,17)
InChIKeyBTYZTUAIRXKACI-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.19
Rot. Bonds3

About 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid

5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 69022261) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid
PubChem CID69022261
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid
SMILESC=C(C)c1cnn(C)c1-c1cc(C(=O)O)sc1C
InChIInChI=1S/C13H14N2O2S/c1-7(2)10-6-14-15(4)12(10)9-5-11(13(16)17)18-8(9)3/h5-6H,1H2,2-4H3,(H,16,17)
InChIKeyBTYZTUAIRXKACI-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid (CID 69022261) is 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid is C=C(C)c1cnn(C)c1-c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is BTYZTUAIRXKACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7(2)10-6-14-15(4)12(10)9-5-11(13(16)17)18-8(9)3/h5-6H,1H2,2-4H3,(H,16,17).
What are the key properties of 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid?
5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methyl-4-prop-1-en-2-ylpyrazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 69022261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).