3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C11H11N3O3S — CID 64526870

IUPAC3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H11N3O3S/c1-2-6-3-4-18-9(6)10(15)12-8-5-7(11(16)17)13-14-8/h3-5H,2H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDUQRKFLTBBIMNI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.98
Rot. Bonds4

About 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526870) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526870
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H11N3O3S/c1-2-6-3-4-18-9(6)10(15)12-8-5-7(11(16)17)13-14-8/h3-5H,2H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDUQRKFLTBBIMNI-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64526870) is 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CCc1ccsc1C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is DUQRKFLTBBIMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-2-6-3-4-18-9(6)10(15)12-8-5-7(11(16)17)13-14-8/h3-5H,2H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-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 3-[(3-ethylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).