3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid

C9H6F3N3O2 — CID 21409193

IUPAC3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
SMILESNc1nn(C(=O)O)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)14-15(6)8(16)17/h1-3H,(H2,13,14)(H,16,17)
InChIKeyPLWYOWQIDHNBDH-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.16
Rot. Bonds

About 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid

3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid (PubChem CID 21409193) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
PubChem CID21409193
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
SMILESNc1nn(C(=O)O)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)14-15(6)8(16)17/h1-3H,(H2,13,14)(H,16,17)
InChIKeyPLWYOWQIDHNBDH-UHFFFAOYSA-N
XLogP2.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
CID 54267084
3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
CID 21409217
[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 100654511
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
3-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-5-(trifluoromethyl)indazole-1-carboxamide
CID 123686404
1-[2-methyl-5-(trifluoromethyl)indol-1-yl]ethanone
CID 72547489
(2,3,4,5,6-pentafluorophenyl) 2-[4-amino-6-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]acetate
CID 156877098
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide
CID 59483540
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
3-[4-oxo-6-(trifluoromethyl)quinolin-1-yl]propanoic acid
CID 53264281

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid?
The IUPAC name of 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid (CID 21409193) is 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid?
The canonical SMILES for 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid is Nc1nn(C(=O)O)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid?
The InChIKey is PLWYOWQIDHNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)14-15(6)8(16)17/h1-3H,(H2,13,14)(H,16,17).
What are the key properties of 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid?
3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid is sourced from PubChem (CID 21409193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).