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

C21H23N3O2 — CID 118714367

IUPACN-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
SMILESO=C(CCCCc1cnn(Cc2cccc(-c3ccccc3)c2)c1)NO
InChIInChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-7-18-14-22-24(16-18)15-17-8-6-11-20(13-17)19-9-2-1-3-10-19/h1-3,6,8-11,13-14,16,26H,4-5,7,12,15H2,(H,23,25)
InChIKeyGTBOGZJGSQYYIJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds8

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

N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide (PubChem CID 118714367) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
PubChem CID118714367
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
SMILESO=C(CCCCc1cnn(Cc2cccc(-c3ccccc3)c2)c1)NO
InChIInChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-7-18-14-22-24(16-18)15-17-8-6-11-20(13-17)19-9-2-1-3-10-19/h1-3,6,8-11,13-14,16,26H,4-5,7,12,15H2,(H,23,25)
InChIKeyGTBOGZJGSQYYIJ-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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Related Compounds

(1R,2R,3R)-N-hydroxy-2-(1-methylpyrazol-4-yl)-3-phenylcyclopropane-1-carboxamide
CID 60148646
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide
CID 71625690
5-(1-benzylpyrazol-3-yl)-N-hydroxypentanamide
CID 72195320
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195322
N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460
5-[1-[(2,4-difluorophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 72195463
5-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 72195464
N-hydroxy-5-[2-[(3-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714368
N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714373
N-Hydroxy-5-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)pentanamide
CID 118714374
5-[1-[(4-anilinophenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
CID 118714376

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide (CID 118714367) is N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide is O=C(CCCCc1cnn(Cc2cccc(-c3ccccc3)c2)c1)NO.
What is the InChIKey of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide?
The InChIKey is GTBOGZJGSQYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-7-18-14-22-24(16-18)15-17-8-6-11-20(13-17)19-9-2-1-3-10-19/h1-3,6,8-11,13-14,16,26H,4-5,7,12,15H2,(H,23,25).
What are the key properties of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide?
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-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-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide is sourced from PubChem (CID 118714367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).