N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide

C21H23N3O3 — CID 118714379

IUPACN-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2cccc(Oc3ccccc3)c2)n1)NO
InChIInChI=1S/C21H23N3O3/c25-21(23-26)12-5-4-8-18-13-14-24(22-18)16-17-7-6-11-20(15-17)27-19-9-2-1-3-10-19/h1-3,6-7,9-11,13-15,26H,4-5,8,12,16H2,(H,23,25)
InChIKeyMSPZKZOVKAQMNZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.94
Rot. Bonds9

About N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide

N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 118714379) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID118714379
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2cccc(Oc3ccccc3)c2)n1)NO
InChIInChI=1S/C21H23N3O3/c25-21(23-26)12-5-4-8-18-13-14-24(22-18)16-17-7-6-11-20(15-17)27-19-9-2-1-3-10-19/h1-3,6-7,9-11,13-15,26H,4-5,8,12,16H2,(H,23,25)
InChIKeyMSPZKZOVKAQMNZ-UHFFFAOYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
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-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide (CID 118714379) is N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide is O=C(CCCCc1ccn(Cc2cccc(Oc3ccccc3)c2)n1)NO.
What is the InChIKey of N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is MSPZKZOVKAQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(23-26)12-5-4-8-18-13-14-24(22-18)16-17-7-6-11-20(15-17)27-19-9-2-1-3-10-19/h1-3,6-7,9-11,13-15,26H,4-5,8,12,16H2,(H,23,25).
What are the key properties of N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide?
N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 365.43 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 118714379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).