5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole

C16H13F3N2O2 — CID 11151408

IUPAC5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole
SMILESCOc1ccc(-n2nc3ccc(OC)cc3c2C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-15(16(17,18)19)13-9-12(23-2)7-8-14(13)20-21/h3-9H,1-2H3
InChIKeyRMPGIJZHOCSLDY-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.06
Rot. Bonds3

About 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole

5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole (PubChem CID 11151408) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole
PubChem CID11151408
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole
SMILESCOc1ccc(-n2nc3ccc(OC)cc3c2C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-15(16(17,18)19)13-9-12(23-2)7-8-14(13)20-21/h3-9H,1-2H3
InChIKeyRMPGIJZHOCSLDY-UHFFFAOYSA-N
XLogP4.06
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole (CID 11151408) is 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole is COc1ccc(-n2nc3ccc(OC)cc3c2C(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole?
The InChIKey is RMPGIJZHOCSLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-11-5-3-10(4-6-11)21-15(16(17,18)19)13-9-12(23-2)7-8-14(13)20-21/h3-9H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole?
5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole has a molecular weight of 322.29 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-3-(trifluoromethyl)indazole is sourced from PubChem (CID 11151408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).