2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine

C20H24N4O — CID 118430399

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)c(C)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-5-17-13-21-20(22-14(17)3)24-15(4)18(19(23-24)25-6-2)12-16-10-8-7-9-11-16/h7-11,13H,5-6,12H2,1-4H3
InChIKeyZXONHTNNZUVISJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine (PubChem CID 118430399) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine
PubChem CID118430399
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)c(C)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-5-17-13-21-20(22-14(17)3)24-15(4)18(19(23-24)25-6-2)12-16-10-8-7-9-11-16/h7-11,13H,5-6,12H2,1-4H3
InChIKeyZXONHTNNZUVISJ-UHFFFAOYSA-N
XLogP3.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine (CID 118430399) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine is CCOc1nn(-c2ncc(CC)c(C)n2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine?
The InChIKey is ZXONHTNNZUVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-5-17-13-21-20(22-14(17)3)24-15(4)18(19(23-24)25-6-2)12-16-10-8-7-9-11-16/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine has a molecular weight of 336.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethyl-4-methylpyrimidine is sourced from PubChem (CID 118430399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).