1-(4-azidophenyl)-3,5-dimethylpyrazole

C11H11N5 — CID 150446996

IUPAC1-(4-azidophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(N=[N+]=[N-])cc2)n1
InChIInChI=1S/C11H11N5/c1-8-7-9(2)16(14-8)11-5-3-10(4-6-11)13-15-12/h3-7H,1-2H3
InChIKeyHMYXULBIWQRSJC-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-azidophenyl)-3,5-dimethylpyrazole

1-(4-azidophenyl)-3,5-dimethylpyrazole (PubChem CID 150446996) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(4-azidophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-azidophenyl)-3,5-dimethylpyrazole
PubChem CID150446996
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name1-(4-azidophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(N=[N+]=[N-])cc2)n1
InChIInChI=1S/C11H11N5/c1-8-7-9(2)16(14-8)11-5-3-10(4-6-11)13-15-12/h3-7H,1-2H3
InChIKeyHMYXULBIWQRSJC-UHFFFAOYSA-N
XLogP3.43
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.43
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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Related Compounds

3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
1-[4-(2-azidoethyl)phenyl]-3,5-dimethylpyrazole
CID 22244617
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole
CID 12746693
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487799
4-(3,5-dimethylpyrazol-1-yl)-N-hydroxybenzeneamine oxide
CID 163118514
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
CID 176922321
[4-(3,5-dimethylpyrazol-1-yl)phenyl] sulfamate
CID 22086549
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762

Frequently Asked Questions

What is the IUPAC name of 1-(4-azidophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-azidophenyl)-3,5-dimethylpyrazole (CID 150446996) is 1-(4-azidophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-azidophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-azidophenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(N=[N+]=[N-])cc2)n1.
What is the InChIKey of 1-(4-azidophenyl)-3,5-dimethylpyrazole?
The InChIKey is HMYXULBIWQRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-8-7-9(2)16(14-8)11-5-3-10(4-6-11)13-15-12/h3-7H,1-2H3.
What are the key properties of 1-(4-azidophenyl)-3,5-dimethylpyrazole?
1-(4-azidophenyl)-3,5-dimethylpyrazole has a molecular weight of 213.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 150446996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).