4-(2-methoxypropyl)-5-nitro-1H-indazole

C11H13N3O3 — CID 174745244

IUPAC4-(2-methoxypropyl)-5-nitro-1H-indazole
SMILESCOC(C)Cc1c([N+](=O)[O-])ccc2[nH]ncc12
InChIInChI=1S/C11H13N3O3/c1-7(17-2)5-8-9-6-12-13-10(9)3-4-11(8)14(15)16/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyVPLLJYRMOOPZAH-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.05
Rot. Bonds4

About 4-(2-methoxypropyl)-5-nitro-1H-indazole

4-(2-methoxypropyl)-5-nitro-1H-indazole (PubChem CID 174745244) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(2-methoxypropyl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name4-(2-methoxypropyl)-5-nitro-1H-indazole
PubChem CID174745244
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(2-methoxypropyl)-5-nitro-1H-indazole
SMILESCOC(C)Cc1c([N+](=O)[O-])ccc2[nH]ncc12
InChIInChI=1S/C11H13N3O3/c1-7(17-2)5-8-9-6-12-13-10(9)3-4-11(8)14(15)16/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyVPLLJYRMOOPZAH-UHFFFAOYSA-N
XLogP2.05
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
4-nitro-5-pentan-2-yl-1H-pyrazole
CID 165474911
4-[(2-fluoro-4-iodophenyl)methyl]-6-methoxy-5-nitro-1H-indazole
CID 58374340
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
2-[methyl-[1-(4-nitro-1H-pyrazol-5-yl)ethyl]amino]ethanol
CID 90010714
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
dipotassium;dimethyl (2R)-2-[[4-(hydroxymethyl)-1H-indazol-5-yl]methyl]butanedioate;carbonate
CID 159975421
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
2-(1H-indazol-4-yl)propane-1-sulfinate
CID 91570562
4,7-dinitro-2H-benzotriazole
CID 54319685
4-nitro-1H-indazole-6-carboxylic acid
CID 24728271

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropyl)-5-nitro-1H-indazole?
The IUPAC name of 4-(2-methoxypropyl)-5-nitro-1H-indazole (CID 174745244) is 4-(2-methoxypropyl)-5-nitro-1H-indazole.
What is the SMILES notation for 4-(2-methoxypropyl)-5-nitro-1H-indazole?
The canonical SMILES for 4-(2-methoxypropyl)-5-nitro-1H-indazole is COC(C)Cc1c([N+](=O)[O-])ccc2[nH]ncc12.
What is the InChIKey of 4-(2-methoxypropyl)-5-nitro-1H-indazole?
The InChIKey is VPLLJYRMOOPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(17-2)5-8-9-6-12-13-10(9)3-4-11(8)14(15)16/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxypropyl)-5-nitro-1H-indazole?
4-(2-methoxypropyl)-5-nitro-1H-indazole has a molecular weight of 235.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropyl)-5-nitro-1H-indazole is sourced from PubChem (CID 174745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).