5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid

C12H13N3O3S — CID 55248956

IUPAC5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C(C)n2cccn2)s1
InChIInChI=1S/C12H13N3O3S/c1-7-6-9(12(17)18)11(19-7)14-10(16)8(2)15-5-3-4-13-15/h3-6,8H,1-2H3,(H,14,16)(H,17,18)
InChIKeyOAMBRACSGYZGGM-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.15
Rot. Bonds4

About 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid

5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid (PubChem CID 55248956) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid
PubChem CID55248956
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C(C)n2cccn2)s1
InChIInChI=1S/C12H13N3O3S/c1-7-6-9(12(17)18)11(19-7)14-10(16)8(2)15-5-3-4-13-15/h3-6,8H,1-2H3,(H,14,16)(H,17,18)
InChIKeyOAMBRACSGYZGGM-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35556893
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211185
5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474715
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
3-chloro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 107047376
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
CID 63616153
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid (CID 55248956) is 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)C(C)n2cccn2)s1.
What is the InChIKey of 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid?
The InChIKey is OAMBRACSGYZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-6-9(12(17)18)11(19-7)14-10(16)8(2)15-5-3-4-13-15/h3-6,8H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid?
5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 55248956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).