2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid

C11H12N4O3S — CID 102806241

IUPAC2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-6-8(5-15(2)14-6)12-11(18)13-9-7(10(16)17)3-4-19-9/h3-5H,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyQLQDQLYPMRARLL-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.13
Rot. Bonds3

About 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid

2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 102806241) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID102806241
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1nn(C)cc1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-6-8(5-15(2)14-6)12-11(18)13-9-7(10(16)17)3-4-19-9/h3-5H,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyQLQDQLYPMRARLL-UHFFFAOYSA-N
XLogP2.13
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-3-fluorobenzoic acid
CID 102806561
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113969
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107971161
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 106105603
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid (CID 102806241) is 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid is Cc1nn(C)cc1NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is QLQDQLYPMRARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-8(5-15(2)14-6)12-11(18)13-9-7(10(16)17)3-4-19-9/h3-5H,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 102806241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).