5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid

C11H11N3O3S — CID 43547791

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H11N3O3S/c1-5-9(6(2)14-13-5)12-10(15)7-3-4-8(18-7)11(16)17/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyYGSQXLKULJXOBE-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.04
Rot. Bonds3

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43547791) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID43547791
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H11N3O3S/c1-5-9(6(2)14-13-5)12-10(15)7-3-4-8(18-7)11(16)17/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyYGSQXLKULJXOBE-UHFFFAOYSA-N
XLogP2.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid (CID 43547791) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is YGSQXLKULJXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-5-9(6(2)14-13-5)12-10(15)7-3-4-8(18-7)11(16)17/h3-4H,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43547791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).