5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

C21H24N4O2 — CID 118714376

IUPAC5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1)NO
InChIInChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
InChIKeyXXOUJCCBKBTDDB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.89
Rot. Bonds9

About 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (PubChem CID 118714376) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
PubChem CID118714376
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1)NO
InChIInChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
InChIKeyXXOUJCCBKBTDDB-UHFFFAOYSA-N
XLogP3.89
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.89
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 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (CID 118714376) is 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is O=C(CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1)NO.
What is the InChIKey of 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The InChIKey is XXOUJCCBKBTDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26).
What are the key properties of 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide has a molecular weight of 364.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is sourced from PubChem (CID 118714376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).