N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H22F3N3O — CID 8778807

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H22F3N3O/c1-11(2)13-6-5-7-14(12(3)4)17(13)22-16(25)10-24-9-8-15(23-24)18(19,20)21/h5-9,11-12H,10H2,1-4H3,(H,22,25)
InChIKeyVLTQMEKNQQTLBN-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.79
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 8778807) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID8778807
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H22F3N3O/c1-11(2)13-6-5-7-14(12(3)4)17(13)22-16(25)10-24-9-8-15(23-24)18(19,20)21/h5-9,11-12H,10H2,1-4H3,(H,22,25)
InChIKeyVLTQMEKNQQTLBN-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
N-(4-hydroxy-3-methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115735038
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-(1-naphthalen-2-ylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51149094
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
N-(1-hydroxy-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 61245896
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 8778807) is N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VLTQMEKNQQTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-11(2)13-6-5-7-14(12(3)4)17(13)22-16(25)10-24-9-8-15(23-24)18(19,20)21/h5-9,11-12H,10H2,1-4H3,(H,22,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 353.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 8778807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).