N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H15F4N3O — CID 136545631

IUPACN-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H15F4N3O/c1-9(10-6-4-5-7-11(10)16)21(2)14(23)12-8-13(15(17,18)19)20-22(12)3/h4-9H,1-3H3
InChIKeyLCQZQVXHSKXIFF-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 136545631) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID136545631
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H15F4N3O/c1-9(10-6-4-5-7-11(10)16)21(2)14(23)12-8-13(15(17,18)19)20-22(12)3/h4-9H,1-3H3
InChIKeyLCQZQVXHSKXIFF-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 136545631) is N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(c1ccccc1F)N(C)C(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LCQZQVXHSKXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-9(10-6-4-5-7-11(10)16)21(2)14(23)12-8-13(15(17,18)19)20-22(12)3/h4-9H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 329.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 136545631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).