5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

C16H14N4O3S — CID 10246764

IUPAC5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccccc1
InChIInChI=1S/C16H14N4O3S/c21-15(17-11-4-2-1-3-5-11)10-20-9-8-12(18-20)13-6-7-14(24-13)16(22)19-23/h1-9,23H,10H2,(H,17,21)(H,19,22)
InChIKeyCJMGSWOXEGSUKF-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.37
Rot. Bonds5

About 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (PubChem CID 10246764) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
PubChem CID10246764
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccccc1
InChIInChI=1S/C16H14N4O3S/c21-15(17-11-4-2-1-3-5-11)10-20-9-8-12(18-20)13-6-7-14(24-13)16(22)19-23/h1-9,23H,10H2,(H,17,21)(H,19,22)
InChIKeyCJMGSWOXEGSUKF-UHFFFAOYSA-N
XLogP2.37
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (CID 10246764) is 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is O=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccccc1.
What is the InChIKey of 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is CJMGSWOXEGSUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-15(17-11-4-2-1-3-5-11)10-20-9-8-12(18-20)13-6-7-14(24-13)16(22)19-23/h1-9,23H,10H2,(H,17,21)(H,19,22).
What are the key properties of 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-anilino-2-oxoethyl)pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 10246764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).