5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid

C11H11N3O3S — CID 43429906

IUPAC5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCn1cc(NC(=O)c2ccc(C(=O)O)s2)cn1
InChIInChI=1S/C11H11N3O3S/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h3-6H,2H2,1H3,(H,13,15)(H,16,17)
InChIKeyWZMDSHGBKZIHJT-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.91
Rot. Bonds4

About 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43429906) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID43429906
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCn1cc(NC(=O)c2ccc(C(=O)O)s2)cn1
InChIInChI=1S/C11H11N3O3S/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h3-6H,2H2,1H3,(H,13,15)(H,16,17)
InChIKeyWZMDSHGBKZIHJT-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid (CID 43429906) is 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid is CCn1cc(NC(=O)c2ccc(C(=O)O)s2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is WZMDSHGBKZIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-2-14-6-7(5-12-14)13-10(15)8-3-4-9(18-8)11(16)17/h3-6H,2H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43429906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).