5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide

C12H12F3N3O — CID 70934638

IUPAC5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
SMILESCCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F3N3O/c1-2-7-3-4-9-8(5-7)10(18-17-9)11(19)16-6-12(13,14)15/h3-5H,2,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyNXBQBSFROQHETJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.42
Rot. Bonds3

About 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide

5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide (PubChem CID 70934638) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
PubChem CID70934638
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
SMILESCCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F3N3O/c1-2-7-3-4-9-8(5-7)10(18-17-9)11(19)16-6-12(13,14)15/h3-5H,2,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyNXBQBSFROQHETJ-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide (CID 70934638) is 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide is CCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1.
What is the InChIKey of 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The InChIKey is NXBQBSFROQHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-7-3-4-9-8(5-7)10(18-17-9)11(19)16-6-12(13,14)15/h3-5H,2,6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 70934638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).