5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

C16H13FN4O3S — CID 10406211

IUPAC5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S/c17-10-1-3-11(4-2-10)18-15(22)9-21-8-7-12(19-21)13-5-6-14(25-13)16(23)20-24/h1-8,24H,9H2,(H,18,22)(H,20,23)
InChIKeyWSQQMPHVRIKEEC-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.51
Rot. Bonds5

About 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (PubChem CID 10406211) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
PubChem CID10406211
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S/c17-10-1-3-11(4-2-10)18-15(22)9-21-8-7-12(19-21)13-5-6-14(25-13)16(23)20-24/h1-8,24H,9H2,(H,18,22)(H,20,23)
InChIKeyWSQQMPHVRIKEEC-UHFFFAOYSA-N
XLogP2.51
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.51
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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Related Compounds

methyl 5-[1-[2-(3,5-difluoroanilino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657074
5-[1-[2-(2-cyclohexa-1,3-dien-1-ylethylamino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 142858027
N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 142672472
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
CID 46986482

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (CID 10406211) is 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is O=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1ccc(F)cc1.
What is the InChIKey of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is WSQQMPHVRIKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-10-1-3-11(4-2-10)18-15(22)9-21-8-7-12(19-21)13-5-6-14(25-13)16(23)20-24/h1-8,24H,9H2,(H,18,22)(H,20,23).
What are the key properties of 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 10406211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).