N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide

C16H11F4N3O — CID 86971927

IUPACN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(F)(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11F4N3O/c17-10-7-5-9(6-8-10)14(16(18,19)20)21-15(24)13-11-3-1-2-4-12(11)22-23-13/h1-8,14H,(H,21,24)(H,22,23)
InChIKeyGTFNQMSXOARHMW-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.74
Rot. Bonds3

About N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide

N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 86971927) has the molecular formula C16H11F4N3O and a molecular weight of 337.28 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID86971927
Molecular FormulaC16H11F4N3O
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC NameN-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C(F)(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H11F4N3O/c17-10-7-5-9(6-8-10)14(16(18,19)20)21-15(24)13-11-3-1-2-4-12(11)22-23-13/h1-8,14H,(H,21,24)(H,22,23)
InChIKeyGTFNQMSXOARHMW-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 170858350
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide (CID 86971927) is N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide is O=C(NC(c1ccc(F)cc1)C(F)(F)F)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is GTFNQMSXOARHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O/c17-10-7-5-9(6-8-10)14(16(18,19)20)21-15(24)13-11-3-1-2-4-12(11)22-23-13/h1-8,14H,(H,21,24)(H,22,23).
What are the key properties of N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide?
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 337.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86971927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).