1-[(2R)-2-methoxypropyl]-5-nitroindazole

C11H13N3O3 — CID 141387350

IUPAC1-[(2R)-2-methoxypropyl]-5-nitroindazole
SMILESCO[C@H](C)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H13N3O3/c1-8(17-2)7-13-11-4-3-10(14(15)16)5-9(11)6-12-13/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyCWNHCRBSMAOPAW-MRVPVSSYSA-N
MW235.24 g/mol
LogP1.98
Rot. Bonds4

About 1-[(2R)-2-methoxypropyl]-5-nitroindazole

1-[(2R)-2-methoxypropyl]-5-nitroindazole (PubChem CID 141387350) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-[(2R)-2-methoxypropyl]-5-nitroindazole.

Molecular Properties

Compound Name1-[(2R)-2-methoxypropyl]-5-nitroindazole
PubChem CID141387350
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-[(2R)-2-methoxypropyl]-5-nitroindazole
SMILESCO[C@H](C)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H13N3O3/c1-8(17-2)7-13-11-4-3-10(14(15)16)5-9(11)6-12-13/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyCWNHCRBSMAOPAW-MRVPVSSYSA-N
XLogP1.98
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-methoxypropyl]-5-nitroindazole 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

(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
2-amino-2-methyl-3-(5-nitroindazol-1-yl)propanenitrile
CID 69339825
N-[(4-methoxyphenyl)methyl]-N-[(5-nitroindazol-1-yl)methyl]cyclopropanamine
CID 31385919
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052
1-tert-butyl-5-nitroindazole
CID 15147634
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
CID 68619624
4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
CID 68618758

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxypropyl]-5-nitroindazole?
The IUPAC name of 1-[(2R)-2-methoxypropyl]-5-nitroindazole (CID 141387350) is 1-[(2R)-2-methoxypropyl]-5-nitroindazole.
What is the SMILES notation for 1-[(2R)-2-methoxypropyl]-5-nitroindazole?
The canonical SMILES for 1-[(2R)-2-methoxypropyl]-5-nitroindazole is CO[C@H](C)Cn1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-[(2R)-2-methoxypropyl]-5-nitroindazole?
The InChIKey is CWNHCRBSMAOPAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-8(17-2)7-13-11-4-3-10(14(15)16)5-9(11)6-12-13/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-methoxypropyl]-5-nitroindazole?
1-[(2R)-2-methoxypropyl]-5-nitroindazole has a molecular weight of 235.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxypropyl]-5-nitroindazole is sourced from PubChem (CID 141387350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).