N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide

C21H23N3O2 — CID 118714377

IUPACN-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(-c3ccccc3)cc2)n1)NO
InChIInChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
InChIKeyGIMAODGURWKHJY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds8

About N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide

N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 118714377) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID118714377
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(-c3ccccc3)cc2)n1)NO
InChIInChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
InChIKeyGIMAODGURWKHJY-UHFFFAOYSA-N
XLogP3.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide (CID 118714377) is N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide is O=C(CCCCc1ccn(Cc2ccc(-c3ccccc3)cc2)n1)NO.
What is the InChIKey of N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is GIMAODGURWKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25).
What are the key properties of N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide?
N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 349.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 118714377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).