N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

C18H18FN5O3 — CID 135753117

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O3/c1-3-12-9-16(25)22-18(20-12)24-15(8-11(2)23-24)21-17(26)10-27-14-7-5-4-6-13(14)19/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyIJGLFZRAXHMGGO-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 135753117) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID135753117
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O3/c1-3-12-9-16(25)22-18(20-12)24-15(8-11(2)23-24)21-17(26)10-27-14-7-5-4-6-13(14)19/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyIJGLFZRAXHMGGO-UHFFFAOYSA-N
XLogP1.98
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (CID 135753117) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is IJGLFZRAXHMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-3-12-9-16(25)22-18(20-12)24-15(8-11(2)23-24)21-17(26)10-27-14-7-5-4-6-13(14)19/h4-9H,3,10H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 371.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 135753117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).