5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole

C19H22N2O — CID 71027760

IUPAC5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole
SMILESCCc1ccccc1Oc1ccc2c(cnn2CC(C)C)c1
InChIInChI=1S/C19H22N2O/c1-4-15-7-5-6-8-19(15)22-17-9-10-18-16(11-17)12-20-21(18)13-14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyNNPHFUOLPDMZRX-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.05
Rot. Bonds5

About 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole

5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole (PubChem CID 71027760) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole.

Molecular Properties

Compound Name5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole
PubChem CID71027760
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole
SMILESCCc1ccccc1Oc1ccc2c(cnn2CC(C)C)c1
InChIInChI=1S/C19H22N2O/c1-4-15-7-5-6-8-19(15)22-17-9-10-18-16(11-17)12-20-21(18)13-14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyNNPHFUOLPDMZRX-UHFFFAOYSA-N
XLogP5.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole?
The IUPAC name of 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole (CID 71027760) is 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole.
What is the SMILES notation for 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole?
The canonical SMILES for 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole is CCc1ccccc1Oc1ccc2c(cnn2CC(C)C)c1.
What is the InChIKey of 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole?
The InChIKey is NNPHFUOLPDMZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-15-7-5-6-8-19(15)22-17-9-10-18-16(11-17)12-20-21(18)13-14(2)3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole?
5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole has a molecular weight of 294.40 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole is sourced from PubChem (CID 71027760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).