5-(azidomethyl)-3-bromo-1H-pyrazole

C4H4BrN5 — CID 150260630

IUPAC5-(azidomethyl)-3-bromo-1H-pyrazole
SMILES[N-]=[N+]=NCc1cc(Br)n[nH]1
InChIInChI=1S/C4H4BrN5/c5-4-1-3(8-9-4)2-7-10-6/h1H,2H2,(H,8,9)
InChIKeyGBMBQLDSIRTQKX-UHFFFAOYSA-N
MW202.01 g/mol
LogP1.98
Rot. Bonds2

About 5-(azidomethyl)-3-bromo-1H-pyrazole

5-(azidomethyl)-3-bromo-1H-pyrazole (PubChem CID 150260630) has the molecular formula C4H4BrN5 and a molecular weight of 202.01 g/mol. Its IUPAC name is 5-(azidomethyl)-3-bromo-1H-pyrazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-bromo-1H-pyrazole
PubChem CID150260630
Molecular FormulaC4H4BrN5
Molecular Weight202.01 g/mol
Exact Mass200.97
IUPAC Name5-(azidomethyl)-3-bromo-1H-pyrazole
SMILES[N-]=[N+]=NCc1cc(Br)n[nH]1
InChIInChI=1S/C4H4BrN5/c5-4-1-3(8-9-4)2-7-10-6/h1H,2H2,(H,8,9)
InChIKeyGBMBQLDSIRTQKX-UHFFFAOYSA-N
XLogP1.98
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 51.98
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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Related Compounds

3-bromo-5-methyl-1H-pyrazole
CID 1201423
3-Bromo-5-(trifluoromethyl)-1H-pyrazole
CID 68746581
5-bromo-1H-pyrazole-3-carbonitrile
CID 91372286
5-bromo-3-(chloromethyl)-1H-pyrazole
CID 168254690
3-Bromo-5-(difluoromethyl)-1H-pyrazole
CID 161115975
(5-fluoro-1H-pyrazol-3-yl)methanamine
CID 135396881
1-(3-bromo-1H-pyrazol-5-yl)methanamine
CID 83851863
2-(3-bromo-1H-pyrazol-5-yl)ethanamine
CID 83851980
1-(3-bromo-1H-pyrazol-5-yl)ethanamine
CID 84719458
5-bromo-3-ethenyl-1H-pyrazole
CID 169791201
3-bromo-5-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 170730866
(3-Bromo-1-iodophosphanylpyrazol-5-yl)methanamine
CID 172244957

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-bromo-1H-pyrazole?
The IUPAC name of 5-(azidomethyl)-3-bromo-1H-pyrazole (CID 150260630) is 5-(azidomethyl)-3-bromo-1H-pyrazole.
What is the SMILES notation for 5-(azidomethyl)-3-bromo-1H-pyrazole?
The canonical SMILES for 5-(azidomethyl)-3-bromo-1H-pyrazole is [N-]=[N+]=NCc1cc(Br)n[nH]1.
What is the InChIKey of 5-(azidomethyl)-3-bromo-1H-pyrazole?
The InChIKey is GBMBQLDSIRTQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN5/c5-4-1-3(8-9-4)2-7-10-6/h1H,2H2,(H,8,9).
What are the key properties of 5-(azidomethyl)-3-bromo-1H-pyrazole?
5-(azidomethyl)-3-bromo-1H-pyrazole has a molecular weight of 202.01 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-bromo-1H-pyrazole is sourced from PubChem (CID 150260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).