N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H15F3N4O2 — CID 53497858

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H15F3N4O2/c1-19(6-10-5-18-20(2)7-10)13(23)9-21-8-11(14(15,16)17)3-4-12(21)22/h3-5,7-8H,6,9H2,1-2H3
InChIKeyNLQAXMFLRDTOLF-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.26
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 53497858) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID53497858
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H15F3N4O2/c1-19(6-10-5-18-20(2)7-10)13(23)9-21-8-11(14(15,16)17)3-4-12(21)22/h3-5,7-8H,6,9H2,1-2H3
InChIKeyNLQAXMFLRDTOLF-UHFFFAOYSA-N
XLogP1.26
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 53497858) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CN(Cc1cnn(C)c1)C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NLQAXMFLRDTOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-19(6-10-5-18-20(2)7-10)13(23)9-21-8-11(14(15,16)17)3-4-12(21)22/h3-5,7-8H,6,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 328.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 53497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).