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

C19H22N4O — CID 118430651

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyCACONUCSNWGXRG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.52
Rot. Bonds6

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine (PubChem CID 118430651) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
PubChem CID118430651
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
SMILESCCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyCACONUCSNWGXRG-UHFFFAOYSA-N
XLogP3.52
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
7-[4-(3-Fluoropropoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
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
4-[(4-Cyano-2-fluorophenoxy)methyl]-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrazole-5-carbonitrile
CID 67633261
hDHODH-IN-4
CID 118430507
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine (CID 118430651) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine is CCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
The InChIKey is CACONUCSNWGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine has a molecular weight of 322.41 g/mol, XLogP of 3.52, 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-ethylpyrimidine is sourced from PubChem (CID 118430651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).