5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid

C12H13N3O3S — CID 43648240

IUPAC5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H13N3O3S/c1-7-5-8(2)15(14-7)6-10(16)13-11-4-3-9(19-11)12(17)18/h3-5H,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyCFKZEAIJSNAAGA-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.90
Rot. Bonds4

About 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid

5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43648240) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43648240
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H13N3O3S/c1-7-5-8(2)15(14-7)6-10(16)13-11-4-3-9(19-11)12(17)18/h3-5H,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyCFKZEAIJSNAAGA-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915102
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927996
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid (CID 43648240) is 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid is Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is CFKZEAIJSNAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-5-8(2)15(14-7)6-10(16)13-11-4-3-9(19-11)12(17)18/h3-5H,6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).