1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole

C9H15N5 — CID 61396466

IUPAC1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(CCN=[N+]=[N-])c1C
InChIInChI=1S/C9H15N5/c1-4-9-7(2)12-14(8(9)3)6-5-11-13-10/h4-6H2,1-3H3
InChIKeyDLXGQOMIHHZGFG-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole

1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole (PubChem CID 61396466) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
PubChem CID61396466
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(CCN=[N+]=[N-])c1C
InChIInChI=1S/C9H15N5/c1-4-9-7(2)12-14(8(9)3)6-5-11-13-10/h4-6H2,1-3H3
InChIKeyDLXGQOMIHHZGFG-UHFFFAOYSA-N
XLogP2.37
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.37
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 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole (CID 61396466) is 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole is CCc1c(C)nn(CCN=[N+]=[N-])c1C.
What is the InChIKey of 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole?
The InChIKey is DLXGQOMIHHZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-4-9-7(2)12-14(8(9)3)6-5-11-13-10/h4-6H2,1-3H3.
What are the key properties of 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole?
1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole has a molecular weight of 193.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 61396466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).