N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H14F3N3O — CID 19530800

IUPACN-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-14-9(17)6-16-4-3-8(15-16)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyRZXOIQALVUSNNY-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.67
Rot. Bonds4

About N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530800) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530800
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)5-14-9(17)6-16-4-3-8(15-16)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyRZXOIQALVUSNNY-UHFFFAOYSA-N
XLogP1.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 82009604
N-(1-hydroxy-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 61245896
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-(4-hydroxy-3-methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115735038
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55349128
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8778807
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810872

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530800) is N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)CNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is RZXOIQALVUSNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)5-14-9(17)6-16-4-3-8(15-16)10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).