5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

C12H13N3O3S — CID 28778258

IUPAC5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnn(C)c2C)sc1C(=O)O
InChIInChI=1S/C12H13N3O3S/c1-6-4-9(19-10(6)12(17)18)14-11(16)8-5-13-15(3)7(8)2/h4-5H,1-3H3,(H,14,16)(H,17,18)
InChIKeyZAFXBXLDQLPGII-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.05
Rot. Bonds3

About 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 28778258) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID28778258
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnn(C)c2C)sc1C(=O)O
InChIInChI=1S/C12H13N3O3S/c1-6-4-9(19-10(6)12(17)18)14-11(16)8-5-13-15(3)7(8)2/h4-5H,1-3H3,(H,14,16)(H,17,18)
InChIKeyZAFXBXLDQLPGII-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 28778258) is 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cnn(C)c2C)sc1C(=O)O.
What is the InChIKey of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is ZAFXBXLDQLPGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-6-4-9(19-10(6)12(17)18)14-11(16)8-5-13-15(3)7(8)2/h4-5H,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 28778258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).