N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide

C18H24N4O3 — CID 53361476

IUPACN-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1cnn(Cc2ccccc2)c1)NO
InChIInChI=1S/C18H24N4O3/c23-17(10-6-1-2-7-11-18(24)21-25)20-16-12-19-22(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,25H,1-2,6-7,10-11,13H2,(H,20,23)(H,21,24)
InChIKeySWFFEYQQMZPGOH-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.72
Rot. Bonds10

About N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide

N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide (PubChem CID 53361476) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide
PubChem CID53361476
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1cnn(Cc2ccccc2)c1)NO
InChIInChI=1S/C18H24N4O3/c23-17(10-6-1-2-7-11-18(24)21-25)20-16-12-19-22(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,25H,1-2,6-7,10-11,13H2,(H,20,23)(H,21,24)
InChIKeySWFFEYQQMZPGOH-UHFFFAOYSA-N
XLogP2.72
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide (CID 53361476) is N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)Nc1cnn(Cc2ccccc2)c1)NO.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide?
The InChIKey is SWFFEYQQMZPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17(10-6-1-2-7-11-18(24)21-25)20-16-12-19-22(14-16)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,25H,1-2,6-7,10-11,13H2,(H,20,23)(H,21,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide?
N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide has a molecular weight of 344.41 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-N'-hydroxyoctanediamide is sourced from PubChem (CID 53361476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).