1-(1-methylindazol-3-yl)heptan-1-ol

C15H22N2O — CID 103128650

IUPAC1-(1-methylindazol-3-yl)heptan-1-ol
SMILESCCCCCCC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-11-14(18)15-12-9-7-8-10-13(12)17(2)16-15/h7-10,14,18H,3-6,11H2,1-2H3
InChIKeyNTUGBVBATBFODB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.58
Rot. Bonds6

About 1-(1-methylindazol-3-yl)heptan-1-ol

1-(1-methylindazol-3-yl)heptan-1-ol (PubChem CID 103128650) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)heptan-1-ol
PubChem CID103128650
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-methylindazol-3-yl)heptan-1-ol
SMILESCCCCCCC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-11-14(18)15-12-9-7-8-10-13(12)17(2)16-15/h7-10,14,18H,3-6,11H2,1-2H3
InChIKeyNTUGBVBATBFODB-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methylindazol-3-yl)heptan-1-ol 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

N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-(difluoromethyl)-1-methylindazole
CID 153487584

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)heptan-1-ol?
The IUPAC name of 1-(1-methylindazol-3-yl)heptan-1-ol (CID 103128650) is 1-(1-methylindazol-3-yl)heptan-1-ol.
What is the SMILES notation for 1-(1-methylindazol-3-yl)heptan-1-ol?
The canonical SMILES for 1-(1-methylindazol-3-yl)heptan-1-ol is CCCCCCC(O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)heptan-1-ol?
The InChIKey is NTUGBVBATBFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-6-11-14(18)15-12-9-7-8-10-13(12)17(2)16-15/h7-10,14,18H,3-6,11H2,1-2H3.
What are the key properties of 1-(1-methylindazol-3-yl)heptan-1-ol?
1-(1-methylindazol-3-yl)heptan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)heptan-1-ol is sourced from PubChem (CID 103128650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).