4-(2-azidoethyl)-1,3,5-trimethylpyrazole

C8H13N5 — CID 23005972

IUPAC4-(2-azidoethyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CCN=[N+]=[N-]
InChIInChI=1S/C8H13N5/c1-6-8(4-5-10-12-9)7(2)13(3)11-6/h4-5H2,1-3H3
InChIKeyQUJFHKPGPBDAFG-UHFFFAOYSA-N
MW179.23 g/mol
LogP1.89
Rot. Bonds3

About 4-(2-azidoethyl)-1,3,5-trimethylpyrazole

4-(2-azidoethyl)-1,3,5-trimethylpyrazole (PubChem CID 23005972) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-(2-azidoethyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(2-azidoethyl)-1,3,5-trimethylpyrazole
PubChem CID23005972
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-(2-azidoethyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CCN=[N+]=[N-]
InChIInChI=1S/C8H13N5/c1-6-8(4-5-10-12-9)7(2)13(3)11-6/h4-5H2,1-3H3
InChIKeyQUJFHKPGPBDAFG-UHFFFAOYSA-N
XLogP1.89
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.89
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

2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
CID 61396466
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198
4-azido-1-(1,3,5-trimethylpyrazol-4-yl)butane-1,2-diol
CID 171879122
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
CID 130668312
5-(2-azidoethyl)-2,4-dichloro-6-methylpyrimidine
CID 130505380
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole
CID 62128688
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
1-ethyl-3-prop-2-ynyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 136922118

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(2-azidoethyl)-1,3,5-trimethylpyrazole (CID 23005972) is 4-(2-azidoethyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(2-azidoethyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(2-azidoethyl)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1CCN=[N+]=[N-].
What is the InChIKey of 4-(2-azidoethyl)-1,3,5-trimethylpyrazole?
The InChIKey is QUJFHKPGPBDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-6-8(4-5-10-12-9)7(2)13(3)11-6/h4-5H2,1-3H3.
What are the key properties of 4-(2-azidoethyl)-1,3,5-trimethylpyrazole?
4-(2-azidoethyl)-1,3,5-trimethylpyrazole has a molecular weight of 179.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 23005972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).