N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide

C17H14F3N3O3S — CID 58657268

IUPACN-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)s1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-12-3-1-11(2-4-12)7-9-23-10-8-13(21-23)14-5-6-15(27-14)16(24)22-25/h1-6,8,10,25H,7,9H2,(H,22,24)
InChIKeyVXHASLYCPHPLTN-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.87
Rot. Bonds6

About N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide

N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 58657268) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID58657268
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)s1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-12-3-1-11(2-4-12)7-9-23-10-8-13(21-23)14-5-6-15(27-14)16(24)22-25/h1-6,8,10,25H,7,9H2,(H,22,24)
InChIKeyVXHASLYCPHPLTN-UHFFFAOYSA-N
XLogP3.87
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
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 N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 58657268) is N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)s1.
What is the InChIKey of N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is VXHASLYCPHPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c18-17(19,20)26-12-3-1-11(2-4-12)7-9-23-10-8-13(21-23)14-5-6-15(27-14)16(24)22-25/h1-6,8,10,25H,7,9H2,(H,22,24).
What are the key properties of N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide?
N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58657268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).