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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Related Compounds

3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
CID 21409193
[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 100654511
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
CID 21409217
3-ethyl-1-methoxy-5-(trifluoromethyl)indole
CID 122488025
3-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-5-(trifluoromethyl)indazole-1-carboxamide
CID 123686404
(2,3,4,5,6-pentafluorophenyl) 2-[4-amino-6-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]acetate
CID 156877098
tert-butyl 3-amino-5-[2-(3-methoxyphenyl)ethylcarbamoylamino]indazole-1-carboxylate
CID 68918447
ethyl 3-amino-7-(ethoxycarbonylamino)-5-(trifluoromethyl)indazole-2-carboxylate
CID 54395129
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
methyl (E)-3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 15453700
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452

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).