1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole

C20H18N2O — CID 21418378

IUPAC1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole
SMILESCCn1nc(-c2ccc(OC)cc2)c2cc3ccccc3cc21
InChIInChI=1S/C20H18N2O/c1-3-22-19-13-16-7-5-4-6-15(16)12-18(19)20(21-22)14-8-10-17(23-2)11-9-14/h4-13H,3H2,1-2H3
InChIKeyXYBLPMZYVPBPRM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.89
Rot. Bonds3

About 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole

1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole (PubChem CID 21418378) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole
PubChem CID21418378
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole
SMILESCCn1nc(-c2ccc(OC)cc2)c2cc3ccccc3cc21
InChIInChI=1S/C20H18N2O/c1-3-22-19-13-16-7-5-4-6-15(16)12-18(19)20(21-22)14-8-10-17(23-2)11-9-14/h4-13H,3H2,1-2H3
InChIKeyXYBLPMZYVPBPRM-UHFFFAOYSA-N
XLogP4.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-propylindazole
CID 51357867
3-(Naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazole
CID 76317913
3-(Naphthalen-1-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazole
CID 76321623
1,6-Bis(4-propan-2-yloxyphenyl)indazole
CID 134179277
1-(2-Cyclohexylethyl)-3-(naphthalen-2-ylmethoxy)indazole
CID 141700633
4-(4-Methoxy-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979617
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 25102643
4-(4-Methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161741
3-(Naphthalen-1-ylmethoxy)-1-(2-pyrrolidin-1-ylethyl)indazole
CID 76325234
N-[2-[3-(naphthalen-1-ylmethoxy)indazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 76328789
7-Methoxy-1-phenyl-4,5-dihydro-1H-benzo[g]indazole
CID 11425868

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole?
The IUPAC name of 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole (CID 21418378) is 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole.
What is the SMILES notation for 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole?
The canonical SMILES for 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole is CCn1nc(-c2ccc(OC)cc2)c2cc3ccccc3cc21.
What is the InChIKey of 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole?
The InChIKey is XYBLPMZYVPBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-22-19-13-16-7-5-4-6-15(16)12-18(19)20(21-22)14-8-10-17(23-2)11-9-14/h4-13H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole?
1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole has a molecular weight of 302.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxyphenyl)benzo[f]indazole is sourced from PubChem (CID 21418378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).