5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide

C15H13N3O2S — CID 10470023

IUPAC5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(Cc3ccccc3)n2)s1
InChIInChI=1S/C15H13N3O2S/c19-15(17-20)14-7-6-13(21-14)12-8-9-18(16-12)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19)
InChIKeyKCVWPFAOOGQKJL-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.78
Rot. Bonds4

About 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide

5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide (PubChem CID 10470023) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
PubChem CID10470023
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(Cc3ccccc3)n2)s1
InChIInChI=1S/C15H13N3O2S/c19-15(17-20)14-7-6-13(21-14)12-8-9-18(16-12)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19)
InChIKeyKCVWPFAOOGQKJL-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide (CID 10470023) is 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccn(Cc3ccccc3)n2)s1.
What is the InChIKey of 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide?
The InChIKey is KCVWPFAOOGQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-15(17-20)14-7-6-13(21-14)12-8-9-18(16-12)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19).
What are the key properties of 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide?
5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-3-yl)-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 10470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).