4-(azidomethyl)-1-methylpyrazole

C5H7N5 — CID 61372895

IUPAC4-(azidomethyl)-1-methylpyrazole
SMILESCn1cc(CN=[N+]=[N-])cn1
InChIInChI=1S/C5H7N5/c1-10-4-5(3-8-10)2-7-9-6/h3-4H,2H2,1H3
InChIKeyUHRPGVATWKRVNJ-UHFFFAOYSA-N
MW137.15 g/mol
LogP1.23
Rot. Bonds2

About 4-(azidomethyl)-1-methylpyrazole

4-(azidomethyl)-1-methylpyrazole (PubChem CID 61372895) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4-(azidomethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(azidomethyl)-1-methylpyrazole
PubChem CID61372895
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4-(azidomethyl)-1-methylpyrazole
SMILESCn1cc(CN=[N+]=[N-])cn1
InChIInChI=1S/C5H7N5/c1-10-4-5(3-8-10)2-7-9-6/h3-4H,2H2,1H3
InChIKeyUHRPGVATWKRVNJ-UHFFFAOYSA-N
XLogP1.23
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 51.23
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'}

Analyze 4-(azidomethyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azidomethyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 59406424
ethane;4-ethyl-1-methylpyrazole
CID 143829284
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
4-(azidomethyl)-1,5-dimethylpyrazole
CID 150005972
1-methyl-4-propylpyrazole;propane
CID 155742221
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
4-(2-isocyanoethyl)-1-methylpyrazole
CID 83478886
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
CID 111228005
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 62362450
1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111081429

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-methylpyrazole?
The IUPAC name of 4-(azidomethyl)-1-methylpyrazole (CID 61372895) is 4-(azidomethyl)-1-methylpyrazole.
What is the SMILES notation for 4-(azidomethyl)-1-methylpyrazole?
The canonical SMILES for 4-(azidomethyl)-1-methylpyrazole is Cn1cc(CN=[N+]=[N-])cn1.
What is the InChIKey of 4-(azidomethyl)-1-methylpyrazole?
The InChIKey is UHRPGVATWKRVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-10-4-5(3-8-10)2-7-9-6/h3-4H,2H2,1H3.
What are the key properties of 4-(azidomethyl)-1-methylpyrazole?
4-(azidomethyl)-1-methylpyrazole has a molecular weight of 137.15 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-methylpyrazole is sourced from PubChem (CID 61372895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).