N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H22F3N3O — CID 102914804

IUPACN-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C14H22F3N3O/c1-9(2)11(10(3)4)7-18-13(21)8-20-6-5-12(19-20)14(15,16)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,21)
InChIKeyZPSGWTSWIOJMBR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 102914804) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID102914804
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C14H22F3N3O/c1-9(2)11(10(3)4)7-18-13(21)8-20-6-5-12(19-20)14(15,16)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,21)
InChIKeyZPSGWTSWIOJMBR-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
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
(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
N-(1-hydroxy-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 61245896
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-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 102914804) is N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZPSGWTSWIOJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-9(2)11(10(3)4)7-18-13(21)8-20-6-5-12(19-20)14(15,16)17/h5-6,9-11H,7-8H2,1-4H3,(H,18,21).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 305.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 102914804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).