5-(2,2-dimethylpropyl)-1-methylindazole

C13H18N2 — CID 59139804

IUPAC5-(2,2-dimethylpropyl)-1-methylindazole
SMILESCn1ncc2cc(CC(C)(C)C)ccc21
InChIInChI=1S/C13H18N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9H,8H2,1-4H3
InChIKeyWDPBBZVNFJXHAD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.16
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1-methylindazole

5-(2,2-dimethylpropyl)-1-methylindazole (PubChem CID 59139804) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-methylindazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-methylindazole
PubChem CID59139804
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-(2,2-dimethylpropyl)-1-methylindazole
SMILESCn1ncc2cc(CC(C)(C)C)ccc21
InChIInChI=1S/C13H18N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9H,8H2,1-4H3
InChIKeyWDPBBZVNFJXHAD-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-methylindazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-methylindazole (CID 59139804) is 5-(2,2-dimethylpropyl)-1-methylindazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-methylindazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-methylindazole is Cn1ncc2cc(CC(C)(C)C)ccc21.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-methylindazole?
The InChIKey is WDPBBZVNFJXHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-methylindazole?
5-(2,2-dimethylpropyl)-1-methylindazole has a molecular weight of 202.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-methylindazole is sourced from PubChem (CID 59139804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).