4-(3-azidophenyl)-1-methylpyrazole

C10H9N5 — CID 150230235

IUPAC4-(3-azidophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cccc(N=[N+]=[N-])c2)cn1
InChIInChI=1S/C10H9N5/c1-15-7-9(6-12-15)8-3-2-4-10(5-8)13-14-11/h2-7H,1H3
InChIKeyFVHZKBLFSYAXHF-UHFFFAOYSA-N
MW199.22 g/mol
LogP3.03
Rot. Bonds2

About 4-(3-azidophenyl)-1-methylpyrazole

4-(3-azidophenyl)-1-methylpyrazole (PubChem CID 150230235) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(3-azidophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-azidophenyl)-1-methylpyrazole
PubChem CID150230235
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-(3-azidophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cccc(N=[N+]=[N-])c2)cn1
InChIInChI=1S/C10H9N5/c1-15-7-9(6-12-15)8-3-2-4-10(5-8)13-14-11/h2-7H,1H3
InChIKeyFVHZKBLFSYAXHF-UHFFFAOYSA-N
XLogP3.03
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 53.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azidophenyl)-1-methylpyrazole?
The IUPAC name of 4-(3-azidophenyl)-1-methylpyrazole (CID 150230235) is 4-(3-azidophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-azidophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(3-azidophenyl)-1-methylpyrazole is Cn1cc(-c2cccc(N=[N+]=[N-])c2)cn1.
What is the InChIKey of 4-(3-azidophenyl)-1-methylpyrazole?
The InChIKey is FVHZKBLFSYAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-15-7-9(6-12-15)8-3-2-4-10(5-8)13-14-11/h2-7H,1H3.
What are the key properties of 4-(3-azidophenyl)-1-methylpyrazole?
4-(3-azidophenyl)-1-methylpyrazole has a molecular weight of 199.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidophenyl)-1-methylpyrazole is sourced from PubChem (CID 150230235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).