5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid

C11H11N3O3S — CID 63614496

IUPAC5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cn[nH]c2)s1
InChIInChI=1S/C11H11N3O3S/c1-2-7-3-8(11(16)17)10(18-7)14-9(15)6-4-12-13-5-6/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyKXAZTRAZMXBBPF-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.98
Rot. Bonds4

About 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid

5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 63614496) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid
PubChem CID63614496
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cn[nH]c2)s1
InChIInChI=1S/C11H11N3O3S/c1-2-7-3-8(11(16)17)10(18-7)14-9(15)6-4-12-13-5-6/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyKXAZTRAZMXBBPF-UHFFFAOYSA-N
XLogP1.98
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 115496428
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616191
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464
5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid (CID 63614496) is 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2cn[nH]c2)s1.
What is the InChIKey of 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is KXAZTRAZMXBBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-2-7-3-8(11(16)17)10(18-7)14-9(15)6-4-12-13-5-6/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid?
5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63614496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).