5-azido-3-methyl-1H-pyrazole

C4H5N5 — CID 135590643

IUPAC5-azido-3-methyl-1H-pyrazole
SMILESCc1cc(N=[N+]=[N-])[nH]n1
InChIInChI=1S/C4H5N5/c1-3-2-4(7-6-3)8-9-5/h2H,1H3,(H,6,7)
InChIKeyASYITVIZQLPDSI-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.66
Rot. Bonds1

About 5-azido-3-methyl-1H-pyrazole

5-azido-3-methyl-1H-pyrazole (PubChem CID 135590643) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 5-azido-3-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-azido-3-methyl-1H-pyrazole
PubChem CID135590643
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name5-azido-3-methyl-1H-pyrazole
SMILESCc1cc(N=[N+]=[N-])[nH]n1
InChIInChI=1S/C4H5N5/c1-3-2-4(7-6-3)8-9-5/h2H,1H3,(H,6,7)
InChIKeyASYITVIZQLPDSI-UHFFFAOYSA-N
XLogP1.66
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.66
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

1H-Pyrazol-3-amine, 5-methyl-
CID 93146
5-methyl-3-nitro-1H-pyrazole
CID 135463736
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-dithiazolimine
CID 25241620
5-Amino-1H-pyrazole-3-carbonitrile
CID 21180574
3-ethyl-1H-pyrazol-5-amine
CID 21991095
3-iodo-5-methyl-1H-pyrazole
CID 14573935
3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623305
3-(difluoromethyl)-1H-pyrazol-5-amine
CID 50896661
3-Hydrazinyl-5-methyl-1h-pyrazole
CID 574315
3-fluoro-5-methyl-1H-pyrazole
CID 68374671
3-Hydrazinyl-5-(trifluoromethyl)pyrazole
CID 74892489
1-Fluoro-5-methylpyrazol-3-amine
CID 118173839

Frequently Asked Questions

What is the IUPAC name of 5-azido-3-methyl-1H-pyrazole?
The IUPAC name of 5-azido-3-methyl-1H-pyrazole (CID 135590643) is 5-azido-3-methyl-1H-pyrazole.
What is the SMILES notation for 5-azido-3-methyl-1H-pyrazole?
The canonical SMILES for 5-azido-3-methyl-1H-pyrazole is Cc1cc(N=[N+]=[N-])[nH]n1.
What is the InChIKey of 5-azido-3-methyl-1H-pyrazole?
The InChIKey is ASYITVIZQLPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c1-3-2-4(7-6-3)8-9-5/h2H,1H3,(H,6,7).
What are the key properties of 5-azido-3-methyl-1H-pyrazole?
5-azido-3-methyl-1H-pyrazole has a molecular weight of 123.12 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-3-methyl-1H-pyrazole is sourced from PubChem (CID 135590643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).