5-tert-butyl-7-cyclopropyloxy-2-methylindazole

C15H20N2O — CID 164740631

IUPAC5-tert-butyl-7-cyclopropyloxy-2-methylindazole
SMILESCn1cc2cc(C(C)(C)C)cc(OC3CC3)c2n1
InChIInChI=1S/C15H20N2O/c1-15(2,3)11-7-10-9-17(4)16-14(10)13(8-11)18-12-5-6-12/h7-9,12H,5-6H2,1-4H3
InChIKeyOTUBOVMLGYMVNI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.41
Rot. Bonds2

About 5-tert-butyl-7-cyclopropyloxy-2-methylindazole

5-tert-butyl-7-cyclopropyloxy-2-methylindazole (PubChem CID 164740631) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-tert-butyl-7-cyclopropyloxy-2-methylindazole.

Molecular Properties

Compound Name5-tert-butyl-7-cyclopropyloxy-2-methylindazole
PubChem CID164740631
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-tert-butyl-7-cyclopropyloxy-2-methylindazole
SMILESCn1cc2cc(C(C)(C)C)cc(OC3CC3)c2n1
InChIInChI=1S/C15H20N2O/c1-15(2,3)11-7-10-9-17(4)16-14(10)13(8-11)18-12-5-6-12/h7-9,12H,5-6H2,1-4H3
InChIKeyOTUBOVMLGYMVNI-UHFFFAOYSA-N
XLogP3.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-cyclopropyloxy-2-methylindazole?
The IUPAC name of 5-tert-butyl-7-cyclopropyloxy-2-methylindazole (CID 164740631) is 5-tert-butyl-7-cyclopropyloxy-2-methylindazole.
What is the SMILES notation for 5-tert-butyl-7-cyclopropyloxy-2-methylindazole?
The canonical SMILES for 5-tert-butyl-7-cyclopropyloxy-2-methylindazole is Cn1cc2cc(C(C)(C)C)cc(OC3CC3)c2n1.
What is the InChIKey of 5-tert-butyl-7-cyclopropyloxy-2-methylindazole?
The InChIKey is OTUBOVMLGYMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)11-7-10-9-17(4)16-14(10)13(8-11)18-12-5-6-12/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-7-cyclopropyloxy-2-methylindazole?
5-tert-butyl-7-cyclopropyloxy-2-methylindazole has a molecular weight of 244.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-cyclopropyloxy-2-methylindazole is sourced from PubChem (CID 164740631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).