1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole

C8H12ClN5 — CID 62128688

IUPAC1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(CCCN=[N+]=[N-])c(C)c1Cl
InChIInChI=1S/C8H12ClN5/c1-6-8(9)7(2)14(12-6)5-3-4-11-13-10/h3-5H2,1-2H3
InChIKeyUHOXSCTWQWYINS-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole

1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole (PubChem CID 62128688) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole
PubChem CID62128688
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(CCCN=[N+]=[N-])c(C)c1Cl
InChIInChI=1S/C8H12ClN5/c1-6-8(9)7(2)14(12-6)5-3-4-11-13-10/h3-5H2,1-2H3
InChIKeyUHOXSCTWQWYINS-UHFFFAOYSA-N
XLogP2.85
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole?
The IUPAC name of 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole (CID 62128688) is 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole is Cc1nn(CCCN=[N+]=[N-])c(C)c1Cl.
What is the InChIKey of 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole?
The InChIKey is UHOXSCTWQWYINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-6-8(9)7(2)14(12-6)5-3-4-11-13-10/h3-5H2,1-2H3.
What are the key properties of 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole?
1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole has a molecular weight of 213.67 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-4-chloro-3,5-dimethylpyrazole is sourced from PubChem (CID 62128688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).