5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole

C16H19BrN2O — CID 166722465

IUPAC5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
SMILESBrc1ccc2c(c1)c(CC1CC1)nn2C1CCCCO1
InChIInChI=1S/C16H19BrN2O/c17-12-6-7-15-13(10-12)14(9-11-4-5-11)18-19(15)16-3-1-2-8-20-16/h6-7,10-11,16H,1-5,8-9H2
InChIKeyRGJSSFMFEMTBLU-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole

5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole (PubChem CID 166722465) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
PubChem CID166722465
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
SMILESBrc1ccc2c(c1)c(CC1CC1)nn2C1CCCCO1
InChIInChI=1S/C16H19BrN2O/c17-12-6-7-15-13(10-12)14(9-11-4-5-11)18-19(15)16-3-1-2-8-20-16/h6-7,10-11,16H,1-5,8-9H2
InChIKeyRGJSSFMFEMTBLU-UHFFFAOYSA-N
XLogP4.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole (CID 166722465) is 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole is Brc1ccc2c(c1)c(CC1CC1)nn2C1CCCCO1.
What is the InChIKey of 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole?
The InChIKey is RGJSSFMFEMTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-12-6-7-15-13(10-12)14(9-11-4-5-11)18-19(15)16-3-1-2-8-20-16/h6-7,10-11,16H,1-5,8-9H2.
What are the key properties of 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole?
5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole has a molecular weight of 335.25 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 166722465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).