2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine

C18H20N4O — CID 118430489

IUPAC2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-4-14-11-19-18(20-12-14)22-13(3)16(17(21-22)23-5-2)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyLUQILJZOJPJZIZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine

2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine (PubChem CID 118430489) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine
PubChem CID118430489
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-4-14-11-19-18(20-12-14)22-13(3)16(17(21-22)23-5-2)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3
InChIKeyLUQILJZOJPJZIZ-UHFFFAOYSA-N
XLogP3.60
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
3-Fluoropropyl 4-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl ether
CID 3725345
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
7-(4-Methoxyphenyl)-2-(4-morpholinyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476924
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
4-[3-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenoxypyrimidine
CID 10222044
4-[(4-Cyano-2-fluorophenoxy)methyl]-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrazole-5-carbonitrile
CID 67633261

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine?
The IUPAC name of 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine (CID 118430489) is 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine?
The canonical SMILES for 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine is CCOc1nn(-c2ncc(CC)cn2)c(C)c1-c1ccccc1.
What is the InChIKey of 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine?
The InChIKey is LUQILJZOJPJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-14-11-19-18(20-12-14)22-13(3)16(17(21-22)23-5-2)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine?
2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine has a molecular weight of 308.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine is sourced from PubChem (CID 118430489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).