1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine

C17H16F3N3O2 — CID 122574483

IUPAC1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine
SMILESCOCCn1nc(N)c2ccc(-c3ccccc3OC(F)(F)F)cc21
InChIInChI=1S/C17H16F3N3O2/c1-24-9-8-23-14-10-11(6-7-13(14)16(21)22-23)12-4-2-3-5-15(12)25-17(18,19)20/h2-7,10H,8-9H2,1H3,(H2,21,22)
InChIKeyPNGRPSYBWBRXLB-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine

1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine (PubChem CID 122574483) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine
PubChem CID122574483
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine
SMILESCOCCn1nc(N)c2ccc(-c3ccccc3OC(F)(F)F)cc21
InChIInChI=1S/C17H16F3N3O2/c1-24-9-8-23-14-10-11(6-7-13(14)16(21)22-23)12-4-2-3-5-15(12)25-17(18,19)20/h2-7,10H,8-9H2,1H3,(H2,21,22)
InChIKeyPNGRPSYBWBRXLB-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)indazol-3-amine
CID 16050947
Methyl 2-[3-(2-methoxyphenyl)indazol-1-yl]acetate
CID 49835850
1-[2-[3-tert-butyl-1-[[(2R)-oxolan-2-yl]methyl]indazol-6-yl]-4-(trifluoromethyl)phenoxy]-2-methylpropan-2-ol
CID 162646389
US10173985, Example 12
CID 122574347
US10173985, Example 8
CID 122574394
US10173985, Example 24
CID 122574401
US10173985, Example 58
CID 122574404
US10173985, Example 40
CID 122574415
US10173985, Example 68
CID 122574423
US10173985, Example 42
CID 122574480
US10173985, Example 22
CID 122574532
4-(4-Methoxy-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24982167

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine (CID 122574483) is 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine is COCCn1nc(N)c2ccc(-c3ccccc3OC(F)(F)F)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine?
The InChIKey is PNGRPSYBWBRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-24-9-8-23-14-10-11(6-7-13(14)16(21)22-23)12-4-2-3-5-15(12)25-17(18,19)20/h2-7,10H,8-9H2,1H3,(H2,21,22).
What are the key properties of 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine?
1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine has a molecular weight of 351.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-[2-(trifluoromethoxy)phenyl]indazol-3-amine is sourced from PubChem (CID 122574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).