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

C11H10F3N3O — CID 78869799

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C11H10F3N3O/c1-6-2-3-8-7(4-6)9(17-16-8)10(18)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyZHHKILLIXPQHDZ-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.16
Rot. Bonds2

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

5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide (PubChem CID 78869799) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
PubChem CID78869799
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1
InChIInChI=1S/C11H10F3N3O/c1-6-2-3-8-7(4-6)9(17-16-8)10(18)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,15,18)(H,16,17)
InChIKeyZHHKILLIXPQHDZ-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide (CID 78869799) is 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
The InChIKey is ZHHKILLIXPQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-2-3-8-7(4-6)9(17-16-8)10(18)15-5-11(12,13)14/h2-4H,5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide?
5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 78869799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).