4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole

C7H11N5 — CID 4589527

IUPAC4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCN=[N+]=[N-]
InChIInChI=1S/C7H11N5/c1-5-7(3-4-9-12-8)6(2)11-10-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyVVUMWLYCDGIOJO-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.88
Rot. Bonds3

About 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole

4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 4589527) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole
PubChem CID4589527
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCN=[N+]=[N-]
InChIInChI=1S/C7H11N5/c1-5-7(3-4-9-12-8)6(2)11-10-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyVVUMWLYCDGIOJO-UHFFFAOYSA-N
XLogP1.88
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole (CID 4589527) is 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCN=[N+]=[N-].
What is the InChIKey of 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is VVUMWLYCDGIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-5-7(3-4-9-12-8)6(2)11-10-5/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole?
4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 165.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 4589527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).