N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H20F3N3O — CID 19519068

IUPACN-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H20F3N3O/c1-3-4-5-6-7-17-12(20)9-19-10(2)8-11(18-19)13(14,15)16/h8H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyORUCYSWGKYFOAH-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.91
Rot. Bonds7

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

N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19519068) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19519068
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H20F3N3O/c1-3-4-5-6-7-17-12(20)9-19-10(2)8-11(18-19)13(14,15)16/h8H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyORUCYSWGKYFOAH-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-hexylacetamide
CID 19523586
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19516627
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19517540
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519123
N-[(1-ethylpyrazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519237
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003029
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylacetamide
CID 19518003
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19519068) is N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCCCCNC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ORUCYSWGKYFOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-4-5-6-7-17-12(20)9-19-10(2)8-11(18-19)13(14,15)16/h8H,3-7,9H2,1-2H3,(H,17,20).
What are the key properties of N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 291.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19519068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).