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

C11H11N3O3S — CID 43474717

IUPAC5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
SMILESO=C(CCn1cccn1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C11H11N3O3S/c15-9(4-7-14-6-1-5-12-14)13-10-3-2-8(18-10)11(16)17/h1-3,5-6H,4,7H2,(H,13,15)(H,16,17)
InChIKeyZDOOBSVDFDWTLW-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.67
Rot. Bonds5

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

5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid (PubChem CID 43474717) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
PubChem CID43474717
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
SMILESO=C(CCn1cccn1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C11H11N3O3S/c15-9(4-7-14-6-1-5-12-14)13-10-3-2-8(18-10)11(16)17/h1-3,5-6H,4,7H2,(H,13,15)(H,16,17)
InChIKeyZDOOBSVDFDWTLW-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474600
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 19616663
5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474723
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60868636
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 61216623
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 75477161
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid (CID 43474717) is 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid is O=C(CCn1cccn1)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
The InChIKey is ZDOOBSVDFDWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-9(4-7-14-6-1-5-12-14)13-10-3-2-8(18-10)11(16)17/h1-3,5-6H,4,7H2,(H,13,15)(H,16,17).
What are the key properties of 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid?
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43474717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).