1-benzyl-3-cyclopropyl-4-nitroindazole

C17H15N3O2 — CID 67260039

IUPAC1-benzyl-3-cyclopropyl-4-nitroindazole
SMILESO=[N+]([O-])c1cccc2c1c(C1CC1)nn2Cc1ccccc1
InChIInChI=1S/C17H15N3O2/c21-20(22)15-8-4-7-14-16(15)17(13-9-10-13)18-19(14)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2
InChIKeyIXVHNRIFMCFTTB-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.87
Rot. Bonds4

About 1-benzyl-3-cyclopropyl-4-nitroindazole

1-benzyl-3-cyclopropyl-4-nitroindazole (PubChem CID 67260039) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropyl-4-nitroindazole.

Molecular Properties

Compound Name1-benzyl-3-cyclopropyl-4-nitroindazole
PubChem CID67260039
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-benzyl-3-cyclopropyl-4-nitroindazole
SMILESO=[N+]([O-])c1cccc2c1c(C1CC1)nn2Cc1ccccc1
InChIInChI=1S/C17H15N3O2/c21-20(22)15-8-4-7-14-16(15)17(13-9-10-13)18-19(14)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2
InChIKeyIXVHNRIFMCFTTB-UHFFFAOYSA-N
XLogP3.87
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-iodo-4-nitroindazole
CID 67259890
1-benzyl-3-bromo-4-nitroindazole
CID 67261440
2-[(3-cyclopropyl-4-nitroindazol-1-yl)methyl]-5-methylbenzene-1,3-dicarboxylic acid
CID 174678957
3-chloro-4-nitro-1-[[(2R)-oxiran-2-yl]methyl]indazole
CID 99868003
1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
CID 14032592
1-benzyl-3-(2-nitrophenyl)pyrrolidine
CID 23087338
2-benzyl-4-ethyl-5-[1-(2-nitrobenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115451
1-benzyl-5-nitropyrazole
CID 15740730
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 135650098
3-bromo-1-[(1-ethylpyrazol-3-yl)methyl]-4-nitroindazole
CID 67261156
1-benzyl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232872

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropyl-4-nitroindazole?
The IUPAC name of 1-benzyl-3-cyclopropyl-4-nitroindazole (CID 67260039) is 1-benzyl-3-cyclopropyl-4-nitroindazole.
What is the SMILES notation for 1-benzyl-3-cyclopropyl-4-nitroindazole?
The canonical SMILES for 1-benzyl-3-cyclopropyl-4-nitroindazole is O=[N+]([O-])c1cccc2c1c(C1CC1)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclopropyl-4-nitroindazole?
The InChIKey is IXVHNRIFMCFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-20(22)15-8-4-7-14-16(15)17(13-9-10-13)18-19(14)11-12-5-2-1-3-6-12/h1-8,13H,9-11H2.
What are the key properties of 1-benzyl-3-cyclopropyl-4-nitroindazole?
1-benzyl-3-cyclopropyl-4-nitroindazole has a molecular weight of 293.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropyl-4-nitroindazole is sourced from PubChem (CID 67260039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).