5-(3-methoxypropyl)-1H-indazole

C11H14N2O — CID 175249018

IUPAC5-(3-methoxypropyl)-1H-indazole
SMILESCOCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H14N2O/c1-14-6-2-3-9-4-5-11-10(7-9)8-12-13-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyPRVAGOIQZYQDIA-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.14
Rot. Bonds4

About 5-(3-methoxypropyl)-1H-indazole

5-(3-methoxypropyl)-1H-indazole (PubChem CID 175249018) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-1H-indazole.

Molecular Properties

Compound Name5-(3-methoxypropyl)-1H-indazole
PubChem CID175249018
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-(3-methoxypropyl)-1H-indazole
SMILESCOCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H14N2O/c1-14-6-2-3-9-4-5-11-10(7-9)8-12-13-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
InChIKeyPRVAGOIQZYQDIA-UHFFFAOYSA-N
XLogP2.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methoxypropyl)-1H-indazole 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

5-dodecyl-1H-indazole
CID 67799721
5-(methoxymethyl)-1H-indazole
CID 123206066
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
1-[2-(1H-indazol-5-yl)ethyl]cyclopropan-1-amine
CID 105453709
2-(1H-indazol-5-yl)acetic acid
CID 39103838
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
1H-indazole-5-thiolate
CID 51922109
6-(3-methoxypropylsulfanyl)-1H-indazol-5-amine
CID 107491495

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-1H-indazole?
The IUPAC name of 5-(3-methoxypropyl)-1H-indazole (CID 175249018) is 5-(3-methoxypropyl)-1H-indazole.
What is the SMILES notation for 5-(3-methoxypropyl)-1H-indazole?
The canonical SMILES for 5-(3-methoxypropyl)-1H-indazole is COCCCc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(3-methoxypropyl)-1H-indazole?
The InChIKey is PRVAGOIQZYQDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-6-2-3-9-4-5-11-10(7-9)8-12-13-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 5-(3-methoxypropyl)-1H-indazole?
5-(3-methoxypropyl)-1H-indazole has a molecular weight of 190.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-1H-indazole is sourced from PubChem (CID 175249018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).