3,5-dimethyl-1-(oxan-2-yl)indazole

C14H18N2O — CID 144555145

IUPAC3,5-dimethyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(c1)c(C)nn2C1CCCCO1
InChIInChI=1S/C14H18N2O/c1-10-6-7-13-12(9-10)11(2)15-16(13)14-5-3-4-8-17-14/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyLFOKQQNSOOXVCI-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.35
Rot. Bonds1

About 3,5-dimethyl-1-(oxan-2-yl)indazole

3,5-dimethyl-1-(oxan-2-yl)indazole (PubChem CID 144555145) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-2-yl)indazole
PubChem CID144555145
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3,5-dimethyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(c1)c(C)nn2C1CCCCO1
InChIInChI=1S/C14H18N2O/c1-10-6-7-13-12(9-10)11(2)15-16(13)14-5-3-4-8-17-14/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyLFOKQQNSOOXVCI-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)indazole?
The IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)indazole (CID 144555145) is 3,5-dimethyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 3,5-dimethyl-1-(oxan-2-yl)indazole is Cc1ccc2c(c1)c(C)nn2C1CCCCO1.
What is the InChIKey of 3,5-dimethyl-1-(oxan-2-yl)indazole?
The InChIKey is LFOKQQNSOOXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-7-13-12(9-10)11(2)15-16(13)14-5-3-4-8-17-14/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(oxan-2-yl)indazole?
3,5-dimethyl-1-(oxan-2-yl)indazole has a molecular weight of 230.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 144555145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).