3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid

C13H15N3O3S — CID 114915102

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2c(C)csc2C(=O)O)n1
InChIInChI=1S/C13H15N3O3S/c1-7-6-20-12(13(18)19)11(7)14-10(17)5-16-9(3)4-8(2)15-16/h4,6H,5H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyNENWRZWYFNKYTR-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.21
Rot. Bonds4

About 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114915102) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114915102
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2c(C)csc2C(=O)O)n1
InChIInChI=1S/C13H15N3O3S/c1-7-6-20-12(13(18)19)11(7)14-10(17)5-16-9(3)4-8(2)15-16/h4,6H,5H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyNENWRZWYFNKYTR-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43648240
N-(2,6-dibromo-4-nitrophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525733
3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914681
4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 114914709
3-[(2-butylsulfanylacetyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114915023
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914874
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927996
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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid (CID 114915102) is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid is Cc1cc(C)n(CC(=O)Nc2c(C)csc2C(=O)O)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is NENWRZWYFNKYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-6-20-12(13(18)19)11(7)14-10(17)5-16-9(3)4-8(2)15-16/h4,6H,5H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).