N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide

C16H12F3N3O — CID 60589476

IUPACN-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14(10-6-2-1-3-7-10)20-15(23)13-11-8-4-5-9-12(11)21-22-13/h1-9,14H,(H,20,23)(H,21,22)
InChIKeyMWWCMMWMFFHIOZ-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.60
Rot. Bonds3

About N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide

N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide (PubChem CID 60589476) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
PubChem CID60589476
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14(10-6-2-1-3-7-10)20-15(23)13-11-8-4-5-9-12(11)21-22-13/h1-9,14H,(H,20,23)(H,21,22)
InChIKeyMWWCMMWMFFHIOZ-UHFFFAOYSA-N
XLogP3.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 86971927
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 170858350
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide (CID 60589476) is N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide is O=C(NC(c1ccccc1)C(F)(F)F)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide?
The InChIKey is MWWCMMWMFFHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)14(10-6-2-1-3-7-10)20-15(23)13-11-8-4-5-9-12(11)21-22-13/h1-9,14H,(H,20,23)(H,21,22).
What are the key properties of N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide?
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 3.60, 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-phenylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60589476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).