3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole

C16H15FN2O2 — CID 174438984

IUPAC3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole
SMILESCOCn1nc(-c2cccc(F)c2)c2cc(OC)ccc21
InChIInChI=1S/C16H15FN2O2/c1-20-10-19-15-7-6-13(21-2)9-14(15)16(18-19)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyZDLMHLPDPCBHPQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.45
Rot. Bonds4

About 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole

3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole (PubChem CID 174438984) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole
PubChem CID174438984
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole
SMILESCOCn1nc(-c2cccc(F)c2)c2cc(OC)ccc21
InChIInChI=1S/C16H15FN2O2/c1-20-10-19-15-7-6-13(21-2)9-14(15)16(18-19)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3
InChIKeyZDLMHLPDPCBHPQ-UHFFFAOYSA-N
XLogP3.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole (CID 174438984) is 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole is COCn1nc(-c2cccc(F)c2)c2cc(OC)ccc21.
What is the InChIKey of 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole?
The InChIKey is ZDLMHLPDPCBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-20-10-19-15-7-6-13(21-2)9-14(15)16(18-19)11-4-3-5-12(17)8-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole?
3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole has a molecular weight of 286.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methoxy-1-(methoxymethyl)indazole is sourced from PubChem (CID 174438984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).