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

C11H11N3O3S — CID 43474715

IUPAC5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)s1)n1cccn1
InChIInChI=1S/C11H11N3O3S/c1-7(14-6-2-5-12-14)10(15)13-9-4-3-8(18-9)11(16)17/h2-7H,1H3,(H,13,15)(H,16,17)
InChIKeyJVSFKPXBQBDNFN-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.84
Rot. Bonds4

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

5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid (PubChem CID 43474715) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
PubChem CID43474715
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C(=O)Nc1ccc(C(=O)O)s1)n1cccn1
InChIInChI=1S/C11H11N3O3S/c1-7(14-6-2-5-12-14)10(15)13-9-4-3-8(18-9)11(16)17/h2-7H,1H3,(H,13,15)(H,16,17)
InChIKeyJVSFKPXBQBDNFN-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
5-methyl-2-(2-pyrazol-1-ylpropanoylamino)thiophene-3-carboxylic acid
CID 55248956
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35556893
3-chloro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 107047376
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211185
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid (CID 43474715) is 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid is CC(C(=O)Nc1ccc(C(=O)O)s1)n1cccn1.
What is the InChIKey of 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The InChIKey is JVSFKPXBQBDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7(14-6-2-5-12-14)10(15)13-9-4-3-8(18-9)11(16)17/h2-7H,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43474715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).