N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H24F3N5O — CID 139003734

IUPACN-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C)cnn1CCC(C)C
InChIInChI=1S/C17H24F3N5O/c1-5-14-13(9-21-24(14)7-6-11(2)3)22-16(26)10-25-12(4)8-15(23-25)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,22,26)
InChIKeyFKWFTSNVSUBDLP-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.65
Rot. Bonds7

About N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 139003734) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID139003734
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC NameN-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C)cnn1CCC(C)C
InChIInChI=1S/C17H24F3N5O/c1-5-14-13(9-21-24(14)7-6-11(2)3)22-16(26)10-25-12(4)8-15(23-25)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,22,26)
InChIKeyFKWFTSNVSUBDLP-UHFFFAOYSA-N
XLogP3.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519310
N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126821780
1-ethyl-N-methyl-4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19519292
3-[[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091543
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068
4-[[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122091546
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519318
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-phenoxypropan-2-yl]acetamide
CID 810453
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 139003734) is N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C)cnn1CCC(C)C.
What is the InChIKey of N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FKWFTSNVSUBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-5-14-13(9-21-24(14)7-6-11(2)3)22-16(26)10-25-12(4)8-15(23-25)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,22,26).
What are the key properties of N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 139003734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).