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

C16H14F2N2O2 — CID 153368074

IUPAC3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole
SMILESCOc1ccc(-n2nc3ccc(OC)cc3c2C(F)F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-21-11-5-3-10(4-6-11)20-15(16(17)18)13-9-12(22-2)7-8-14(13)19-20/h3-9,16H,1-2H3
InChIKeyRGJMIHQCQYQOTK-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.98
Rot. Bonds4

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

3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole (PubChem CID 153368074) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole
PubChem CID153368074
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole
SMILESCOc1ccc(-n2nc3ccc(OC)cc3c2C(F)F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-21-11-5-3-10(4-6-11)20-15(16(17)18)13-9-12(22-2)7-8-14(13)19-20/h3-9,16H,1-2H3
InChIKeyRGJMIHQCQYQOTK-UHFFFAOYSA-N
XLogP3.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole?
The IUPAC name of 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole (CID 153368074) is 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole.
What is the SMILES notation for 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole?
The canonical SMILES for 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole is COc1ccc(-n2nc3ccc(OC)cc3c2C(F)F)cc1.
What is the InChIKey of 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole?
The InChIKey is RGJMIHQCQYQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-21-11-5-3-10(4-6-11)20-15(16(17)18)13-9-12(22-2)7-8-14(13)19-20/h3-9,16H,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole?
3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole has a molecular weight of 304.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methoxy-2-(4-methoxyphenyl)indazole is sourced from PubChem (CID 153368074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).