N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide

C18H23N7O3 — CID 53361477

IUPACN-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide
SMILES[N-]=[N+]=Nc1ccc(Cn2cc(NC(=O)CCCCCCC(=O)NO)cn2)cc1
InChIInChI=1S/C18H23N7O3/c19-24-22-15-9-7-14(8-10-15)12-25-13-16(11-20-25)21-17(26)5-3-1-2-4-6-18(27)23-28/h7-11,13,28H,1-6,12H2,(H,21,26)(H,23,27)
InChIKeyDBHSJTPWMOAAAA-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.66
Rot. Bonds11

About N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide

N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide (PubChem CID 53361477) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide
PubChem CID53361477
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC NameN-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide
SMILES[N-]=[N+]=Nc1ccc(Cn2cc(NC(=O)CCCCCCC(=O)NO)cn2)cc1
InChIInChI=1S/C18H23N7O3/c19-24-22-15-9-7-14(8-10-15)12-25-13-16(11-20-25)21-17(26)5-3-1-2-4-6-18(27)23-28/h7-11,13,28H,1-6,12H2,(H,21,26)(H,23,27)
InChIKeyDBHSJTPWMOAAAA-UHFFFAOYSA-N
XLogP3.66
TPSA145.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19403924
4-azido-1-benzylpyrazole
CID 57301951
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide (CID 53361477) is N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide is [N-]=[N+]=Nc1ccc(Cn2cc(NC(=O)CCCCCCC(=O)NO)cn2)cc1.
What is the InChIKey of N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide?
The InChIKey is DBHSJTPWMOAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c19-24-22-15-9-7-14(8-10-15)12-25-13-16(11-20-25)21-17(26)5-3-1-2-4-6-18(27)23-28/h7-11,13,28H,1-6,12H2,(H,21,26)(H,23,27).
What are the key properties of N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide?
N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide has a molecular weight of 385.43 g/mol, XLogP of 3.66, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 53361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).