1-ethylindazole;propane

C12H18N2 — CID 143188130

IUPAC1-ethylindazole;propane
SMILESCCC.CCn1ncc2ccccc21
InChIInChI=1S/C9H10N2.C3H8/c1-2-11-9-6-4-3-5-8(9)7-10-11;1-3-2/h3-7H,2H2,1H3;3H2,1-2H3
InChIKeyOHERLWNMRZCUDQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.47
Rot. Bonds1

About 1-ethylindazole;propane

1-ethylindazole;propane (PubChem CID 143188130) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethylindazole;propane.

Molecular Properties

Compound Name1-ethylindazole;propane
PubChem CID143188130
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-ethylindazole;propane
SMILESCCC.CCn1ncc2ccccc21
InChIInChI=1S/C9H10N2.C3H8/c1-2-11-9-6-4-3-5-8(9)7-10-11;1-3-2/h3-7H,2H2,1H3;3H2,1-2H3
InChIKeyOHERLWNMRZCUDQ-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylindazole;propane 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

6-deuterio-1-ethylindazole
CID 175709829
1-propylindazole
CID 18695497
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
cobalt;1-ethylindazole
CID 58657391
1-[(2R)-3-chloro-2-methylpropyl]indazole
CID 118871643
1-indazol-1-ylpropan-2-imine
CID 153009474
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
1-(4-chlorobutyl)indazole
CID 62140548
1-ethyl-5-iodoindazole
CID 175216814
6-indazol-1-ylhexan-3-amine
CID 106800346
1-indazol-1-yl-3,3-dimethylbutan-2-ol
CID 62141901

Frequently Asked Questions

What is the IUPAC name of 1-ethylindazole;propane?
The IUPAC name of 1-ethylindazole;propane (CID 143188130) is 1-ethylindazole;propane.
What is the SMILES notation for 1-ethylindazole;propane?
The canonical SMILES for 1-ethylindazole;propane is CCC.CCn1ncc2ccccc21.
What is the InChIKey of 1-ethylindazole;propane?
The InChIKey is OHERLWNMRZCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C3H8/c1-2-11-9-6-4-3-5-8(9)7-10-11;1-3-2/h3-7H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1-ethylindazole;propane?
1-ethylindazole;propane has a molecular weight of 190.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylindazole;propane is sourced from PubChem (CID 143188130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).