2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine

C18H19FN4O2 — CID 118430465

IUPAC2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C18H19FN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
InChIKeyBGRPAQQLCUQAGU-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.86
Rot. Bonds6

About 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine

2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine (PubChem CID 118430465) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine
PubChem CID118430465
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C18H19FN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
InChIKeyBGRPAQQLCUQAGU-UHFFFAOYSA-N
XLogP3.86
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
hDHODH-IN-3
CID 118430627
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
CID 850354
2-(4-Fluorophenoxy)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2570053
N'-{7-[1-(3-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9634425
Ipp/cnrs-A019
CID 118430525
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430651
N'-[7-[1-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 5909635

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine (CID 118430465) is 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine is CCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccccc1F.
What is the InChIKey of 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine?
The InChIKey is BGRPAQQLCUQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine?
2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine has a molecular weight of 342.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 118430465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).