2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane

C15H22N2 — CID 176566562

IUPAC2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
SMILESCC.Cc1ccc2c(C)n(CC3CC3)nc2c1
InChIInChI=1S/C13H16N2.C2H6/c1-9-3-6-12-10(2)15(8-11-4-5-11)14-13(12)7-9;1-2/h3,6-7,11H,4-5,8H2,1-2H3;1-2H3
InChIKeyBAVKLKSQRQKEAI-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.09
Rot. Bonds2

About 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane

2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane (PubChem CID 176566562) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
PubChem CID176566562
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
SMILESCC.Cc1ccc2c(C)n(CC3CC3)nc2c1
InChIInChI=1S/C13H16N2.C2H6/c1-9-3-6-12-10(2)15(8-11-4-5-11)14-13(12)7-9;1-2/h3,6-7,11H,4-5,8H2,1-2H3;1-2H3
InChIKeyBAVKLKSQRQKEAI-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane 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

1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
2-(cyclopropylmethyl)-6-methylindazole;ethane
CID 145062293
3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
CID 84793009
2-(3,6-dimethylindazol-2-yl)acetamide
CID 176997387
methyl 4-[(3-methylindazol-2-yl)methyl]cyclohexane-1-carboxylate
CID 172581582
3-bromo-2,6-dimethylindazole
CID 84725646
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
1-(cyclopropylmethyl)-3-methyl-5-(oxiran-2-yl)pyrazole
CID 102567821
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 62728732
3-(3-bromo-6-methylindazol-2-yl)propan-1-amine
CID 84729921

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane?
The IUPAC name of 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane (CID 176566562) is 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane.
What is the SMILES notation for 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane?
The canonical SMILES for 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane is CC.Cc1ccc2c(C)n(CC3CC3)nc2c1.
What is the InChIKey of 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane?
The InChIKey is BAVKLKSQRQKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-9-3-6-12-10(2)15(8-11-4-5-11)14-13(12)7-9;1-2/h3,6-7,11H,4-5,8H2,1-2H3;1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane?
2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane has a molecular weight of 230.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane is sourced from PubChem (CID 176566562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).