N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide

C18H16F3N3O — CID 155963071

IUPACN-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O/c1-17(2,11-7-9-12(10-8-11)18(19,20)21)16(25)22-15-13-5-3-4-6-14(13)23-24-15/h3-10H,1-2H3,(H2,22,23,24,25)
InChIKeyVVTWBVAFEZRKOH-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.50
Rot. Bonds3

About N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide

N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 155963071) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID155963071
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O/c1-17(2,11-7-9-12(10-8-11)18(19,20)21)16(25)22-15-13-5-3-4-6-14(13)23-24-15/h3-10H,1-2H3,(H2,22,23,24,25)
InChIKeyVVTWBVAFEZRKOH-UHFFFAOYSA-N
XLogP4.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 170857532
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-(1H-indazol-3-yl)-3,5,5-trimethylhexanamide
CID 60969558
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 7956494
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
tert-butyl formate;3-[4-(trifluoromethyl)phenyl]-1H-indazole
CID 174630366
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555428

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide (CID 155963071) is N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1n[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VVTWBVAFEZRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-17(2,11-7-9-12(10-8-11)18(19,20)21)16(25)22-15-13-5-3-4-6-14(13)23-24-15/h3-10H,1-2H3,(H2,22,23,24,25).
What are the key properties of N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide?
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 347.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 155963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).