methyl 1-(2-azidoethyl)indazole-4-carboxylate

C11H11N5O2 — CID 129300487

IUPACmethyl 1-(2-azidoethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1cnn2CCN=[N+]=[N-]
InChIInChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-4-10-9(8)7-14-16(10)6-5-13-15-12/h2-4,7H,5-6H2,1H3
InChIKeyWZSMMXATMKKPLK-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.13
Rot. Bonds4

About methyl 1-(2-azidoethyl)indazole-4-carboxylate

methyl 1-(2-azidoethyl)indazole-4-carboxylate (PubChem CID 129300487) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl 1-(2-azidoethyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-azidoethyl)indazole-4-carboxylate
PubChem CID129300487
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Namemethyl 1-(2-azidoethyl)indazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1cnn2CCN=[N+]=[N-]
InChIInChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-4-10-9(8)7-14-16(10)6-5-13-15-12/h2-4,7H,5-6H2,1H3
InChIKeyWZSMMXATMKKPLK-UHFFFAOYSA-N
XLogP2.13
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 1-pentylindazole-4-carboxylate
CID 90379283
methyl 3-[4-[(E)-N'-hydroxycarbamimidoyl]indazol-1-yl]propanoate
CID 173471063
methyl 2-methyl-1-oxophthalazine-5-carboxylate
CID 167974102
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045
acetyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-4-carboxylate
CID 151215829
methyl 2-(2-azidoethoxymethyl)benzoate
CID 170346138
methyl 3-[(6-aminoindazol-1-yl)methyl]-2-methoxybenzoate
CID 22061039
methyl 3-(4-azido-1,2-dihydroxybutyl)-2-methylbenzoate
CID 171880038
(1-azido-2-methylpropan-2-yl) 5-[cyclopropyl-[1-(2-hydroxyethyl)indazole-4-carbonyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378053
(1-azido-2-methylpropan-2-yl) 5-[[1-[4-azido-3,3-bis(azidomethyl)butyl]indazole-4-carbonyl]-cyclopropylamino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 129300813
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-[2-(azidomethyl)pyrrol-1-yl]benzoate
CID 10264374

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-azidoethyl)indazole-4-carboxylate?
The IUPAC name of methyl 1-(2-azidoethyl)indazole-4-carboxylate (CID 129300487) is methyl 1-(2-azidoethyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-azidoethyl)indazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-azidoethyl)indazole-4-carboxylate is COC(=O)c1cccc2c1cnn2CCN=[N+]=[N-].
What is the InChIKey of methyl 1-(2-azidoethyl)indazole-4-carboxylate?
The InChIKey is WZSMMXATMKKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-18-11(17)8-3-2-4-10-9(8)7-14-16(10)6-5-13-15-12/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 1-(2-azidoethyl)indazole-4-carboxylate?
methyl 1-(2-azidoethyl)indazole-4-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-azidoethyl)indazole-4-carboxylate is sourced from PubChem (CID 129300487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).