3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid

C11H11N3O3S — CID 103116399

IUPAC3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-5-8(18-9(6)11(16)17)12-10(15)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyPVXNHWMTZWARSK-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid

3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 103116399) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID103116399
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C11H11N3O3S/c1-6-5-8(18-9(6)11(16)17)12-10(15)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,12,15)(H,16,17)
InChIKeyPVXNHWMTZWARSK-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171259
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 103116399) is 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccn(C)n2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is PVXNHWMTZWARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-5-8(18-9(6)11(16)17)12-10(15)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 103116399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).