N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide

C16H17F4N3O — CID 2809611

IUPACN-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C16H17F4N3O/c1-15(2,3)14(24)21-13-11(9-5-7-10(17)8-6-9)12(16(18,19)20)22-23(13)4/h5-8H,1-4H3,(H,21,24)
InChIKeyUWHAKEWENARSPP-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.23
Rot. Bonds2

About N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide

N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 2809611) has the molecular formula C16H17F4N3O and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide
PubChem CID2809611
Molecular FormulaC16H17F4N3O
Molecular Weight343.32 g/mol
Exact Mass343.13
IUPAC NameN-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C(C)(C)C
InChIInChI=1S/C16H17F4N3O/c1-15(2,3)14(24)21-13-11(9-5-7-10(17)8-6-9)12(16(18,19)20)22-23(13)4/h5-8H,1-4H3,(H,21,24)
InChIKeyUWHAKEWENARSPP-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide (CID 2809611) is N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide is Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is UWHAKEWENARSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O/c1-15(2,3)14(24)21-13-11(9-5-7-10(17)8-6-9)12(16(18,19)20)22-23(13)4/h5-8H,1-4H3,(H,21,24).
What are the key properties of N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 343.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2809611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).