N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H19F3N4O2 — CID 51321006

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H19F3N4O2/c1-15(2,3)11-7-12(22(4)21-11)20-13(24)9-23-8-10(16(17,18)19)5-6-14(23)25/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyLQWDSWTVABZAPA-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.54
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 51321006) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID51321006
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H19F3N4O2/c1-15(2,3)11-7-12(22(4)21-11)20-13(24)9-23-8-10(16(17,18)19)5-6-14(23)25/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyLQWDSWTVABZAPA-UHFFFAOYSA-N
XLogP2.54
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10280165, Example 17
CID 134489486
US10280165, Example 20
CID 134489491
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45795795
N-(2,5-dimethylpyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45814651
US10280165, Example 18
CID 134489490
N-(2,5-dimethylpyrazol-3-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39041720
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-oxo-1-pyridinyl)acetamide
CID 99831506
N-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[3-(3-oxopiperazin-1-yl)propyl]urea
CID 118769165
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 57792258
n-(3-Tert-butyl-1-(cyclopropylmethyl)-1h-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 59866003
N-(5-tert-butyl-2-pentylpyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 87087462
N-[5-tert-butyl-2-(3-methoxypropyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 87087492

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 51321006) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LQWDSWTVABZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-15(2,3)11-7-12(22(4)21-11)20-13(24)9-23-8-10(16(17,18)19)5-6-14(23)25/h5-8H,9H2,1-4H3,(H,20,24).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 356.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 51321006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).