4-azido-1-benzylpyrazole

C10H9N5 — CID 57301951

IUPAC4-azido-1-benzylpyrazole
SMILES[N-]=[N+]=Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9N5/c11-14-13-10-6-12-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyDTSDAQIUPLCHOQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.87
Rot. Bonds3

About 4-azido-1-benzylpyrazole

4-azido-1-benzylpyrazole (PubChem CID 57301951) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-azido-1-benzylpyrazole.

Molecular Properties

Compound Name4-azido-1-benzylpyrazole
PubChem CID57301951
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-azido-1-benzylpyrazole
SMILES[N-]=[N+]=Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9N5/c11-14-13-10-6-12-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyDTSDAQIUPLCHOQ-UHFFFAOYSA-N
XLogP2.87
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-azido-1-benzylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
1-[(3-azidophenyl)methyl]-4-bromopyrazole
CID 169325657
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[1-[(4-azidophenyl)methyl]pyrazol-4-yl]-N'-hydroxyoctanediamide
CID 53361477
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
CID 131238869
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-benzylpyrazole?
The IUPAC name of 4-azido-1-benzylpyrazole (CID 57301951) is 4-azido-1-benzylpyrazole.
What is the SMILES notation for 4-azido-1-benzylpyrazole?
The canonical SMILES for 4-azido-1-benzylpyrazole is [N-]=[N+]=Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 4-azido-1-benzylpyrazole?
The InChIKey is DTSDAQIUPLCHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-14-13-10-6-12-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 4-azido-1-benzylpyrazole?
4-azido-1-benzylpyrazole has a molecular weight of 199.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-benzylpyrazole is sourced from PubChem (CID 57301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).