N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H14F3N5O2 — CID 126832615

IUPACN-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1cncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1=O
InChIInChI=1S/C13H14F3N5O2/c1-3-20-7-17-5-9(12(20)23)18-11(22)6-21-8(2)4-10(19-21)13(14,15)16/h4-5,7H,3,6H2,1-2H3,(H,18,22)
InChIKeyFVJDTJGZTYLHOZ-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.43
Rot. Bonds4

About N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126832615) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126832615
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCn1cncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1=O
InChIInChI=1S/C13H14F3N5O2/c1-3-20-7-17-5-9(12(20)23)18-11(22)6-21-8(2)4-10(19-21)13(14,15)16/h4-5,7H,3,6H2,1-2H3,(H,18,22)
InChIKeyFVJDTJGZTYLHOZ-UHFFFAOYSA-N
XLogP1.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126832615) is N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCn1cncc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FVJDTJGZTYLHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-3-20-7-17-5-9(12(20)23)18-11(22)6-21-8(2)4-10(19-21)13(14,15)16/h4-5,7H,3,6H2,1-2H3,(H,18,22).
What are the key properties of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 329.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126832615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).