1-methyl-3-prop-2-ynoxyindazole

C11H10N2O — CID 112757760

IUPAC1-methyl-3-prop-2-ynoxyindazole
SMILESC#CCOc1nn(C)c2ccccc12
InChIInChI=1S/C11H10N2O/c1-3-8-14-11-9-6-4-5-7-10(9)13(2)12-11/h1,4-7H,8H2,2H3
InChIKeyWUQFFROLIYUWKW-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-3-prop-2-ynoxyindazole

1-methyl-3-prop-2-ynoxyindazole (PubChem CID 112757760) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-methyl-3-prop-2-ynoxyindazole.

Molecular Properties

Compound Name1-methyl-3-prop-2-ynoxyindazole
PubChem CID112757760
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-methyl-3-prop-2-ynoxyindazole
SMILESC#CCOc1nn(C)c2ccccc12
InChIInChI=1S/C11H10N2O/c1-3-8-14-11-9-6-4-5-7-10(9)13(2)12-11/h1,4-7H,8H2,2H3
InChIKeyWUQFFROLIYUWKW-UHFFFAOYSA-N
XLogP1.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-prop-2-ynoxyindazole 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

3-[(3,4-dimethylphenyl)methoxy]-1-methylindazole
CID 51357039
2-(1-methylindazol-3-yl)oxypropanoic acid
CID 112757766
(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
CID 124676429
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 126420962
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide
CID 100820937
methyl 1-[3-(1-methylindazol-3-yl)oxypropyl]pyrrolidine-3-carboxylate
CID 91083227
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
ethane;prop-2-ynoxybenzene
CID 144946264
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
2-[(1-methylindazol-3-yl)methyl-prop-2-ynylamino]acetic acid
CID 79273409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-ynoxyindazole?
The IUPAC name of 1-methyl-3-prop-2-ynoxyindazole (CID 112757760) is 1-methyl-3-prop-2-ynoxyindazole.
What is the SMILES notation for 1-methyl-3-prop-2-ynoxyindazole?
The canonical SMILES for 1-methyl-3-prop-2-ynoxyindazole is C#CCOc1nn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-prop-2-ynoxyindazole?
The InChIKey is WUQFFROLIYUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-3-8-14-11-9-6-4-5-7-10(9)13(2)12-11/h1,4-7H,8H2,2H3.
What are the key properties of 1-methyl-3-prop-2-ynoxyindazole?
1-methyl-3-prop-2-ynoxyindazole has a molecular weight of 186.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-ynoxyindazole is sourced from PubChem (CID 112757760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).