3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid

C13H15N3O3S — CID 28742565

IUPAC3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(C)nn(C)c2C)sc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-6-5-9(20-11(6)13(18)19)14-12(17)10-7(2)15-16(4)8(10)3/h5H,1-4H3,(H,14,17)(H,18,19)
InChIKeyAUYGVSWWOUICSB-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.36
Rot. Bonds3

About 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid

3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 28742565) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID28742565
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(C)nn(C)c2C)sc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-6-5-9(20-11(6)13(18)19)14-12(17)10-7(2)15-16(4)8(10)3/h5H,1-4H3,(H,14,17)(H,18,19)
InChIKeyAUYGVSWWOUICSB-UHFFFAOYSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid (CID 28742565) is 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2c(C)nn(C)c2C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is AUYGVSWWOUICSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-6-5-9(20-11(6)13(18)19)14-12(17)10-7(2)15-16(4)8(10)3/h5H,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 28742565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).