5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

C17H18N4O2S — CID 10246779

IUPAC5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCNCc3ccccc3)n2)s1
InChIInChI=1S/C17H18N4O2S/c22-17(20-23)16-7-6-15(24-16)14-8-10-21(19-14)11-9-18-12-13-4-2-1-3-5-13/h1-8,10,18,23H,9,11-12H2,(H,20,22)
InChIKeyVUTWSBOVMFBEDQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.52
Rot. Bonds7

About 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide

5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (PubChem CID 10246779) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
PubChem CID10246779
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCNCc3ccccc3)n2)s1
InChIInChI=1S/C17H18N4O2S/c22-17(20-23)16-7-6-15(24-16)14-8-10-21(19-14)11-9-18-12-13-4-2-1-3-5-13/h1-8,10,18,23H,9,11-12H2,(H,20,22)
InChIKeyVUTWSBOVMFBEDQ-UHFFFAOYSA-N
XLogP2.52
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide (CID 10246779) is 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccn(CCNCc3ccccc3)n2)s1.
What is the InChIKey of 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is VUTWSBOVMFBEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-17(20-23)16-7-6-15(24-16)14-8-10-21(19-14)11-9-18-12-13-4-2-1-3-5-13/h1-8,10,18,23H,9,11-12H2,(H,20,22).
What are the key properties of 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide?
5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(benzylamino)ethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 10246779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).