methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate

C10H8F3N3O2 — CID 54267084

IUPACmethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
SMILESCOC(=O)n1nc(N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H8F3N3O2/c1-18-9(17)16-7-3-2-5(10(11,12)13)4-6(7)8(14)15-16/h2-4H,1H3,(H2,14,15)
InChIKeyRHNHZZJVHSIFSH-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.25
Rot. Bonds

About methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate

methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate (PubChem CID 54267084) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
PubChem CID54267084
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Namemethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
SMILESCOC(=O)n1nc(N)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C10H8F3N3O2/c1-18-9(17)16-7-3-2-5(10(11,12)13)4-6(7)8(14)15-16/h2-4H,1H3,(H2,14,15)
InChIKeyRHNHZZJVHSIFSH-UHFFFAOYSA-N
XLogP2.25
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate?
The IUPAC name of methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate (CID 54267084) is methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate?
The canonical SMILES for methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate is COC(=O)n1nc(N)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate?
The InChIKey is RHNHZZJVHSIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-18-9(17)16-7-3-2-5(10(11,12)13)4-6(7)8(14)15-16/h2-4H,1H3,(H2,14,15).
What are the key properties of methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate?
methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate has a molecular weight of 259.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate is sourced from PubChem (CID 54267084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).