N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide

C11H10F3N3O — CID 63227826

IUPACN-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)3-4-15-10(18)7-1-2-8-6-16-17-9(8)5-7/h1-2,5-6H,3-4H2,(H,15,18)(H,16,17)
InChIKeyGNOFIZBRRIEQCN-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.25
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide

N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide (PubChem CID 63227826) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
PubChem CID63227826
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)3-4-15-10(18)7-1-2-8-6-16-17-9(8)5-7/h1-2,5-6H,3-4H2,(H,15,18)(H,16,17)
InChIKeyGNOFIZBRRIEQCN-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide (CID 63227826) is N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide is O=C(NCCC(F)(F)F)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide?
The InChIKey is GNOFIZBRRIEQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)3-4-15-10(18)7-1-2-8-6-16-17-9(8)5-7/h1-2,5-6H,3-4H2,(H,15,18)(H,16,17).
What are the key properties of N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide?
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 63227826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).