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

C12H11F3N4O2 — CID 18152717

IUPACN-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H11F3N4O2/c1-18-5-4-9(17-18)16-10(20)7-19-6-8(12(13,14)15)2-3-11(19)21/h2-6H,7H2,1H3,(H,16,17,20)
InChIKeySBGLBPVZFKKQFN-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.24
Rot. Bonds3

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

N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 18152717) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID18152717
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCn1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H11F3N4O2/c1-18-5-4-9(17-18)16-10(20)7-19-6-8(12(13,14)15)2-3-11(19)21/h2-6H,7H2,1H3,(H,16,17,20)
InChIKeySBGLBPVZFKKQFN-UHFFFAOYSA-N
XLogP1.24
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 18152717) is N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cn1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is SBGLBPVZFKKQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-18-5-4-9(17-18)16-10(20)7-19-6-8(12(13,14)15)2-3-11(19)21/h2-6H,7H2,1H3,(H,16,17,20).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 300.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 18152717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).