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

C17H18N4O — CID 118430537

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
SMILESCCOc1nn(-c2ncccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-3-22-16-15(12-14-8-5-4-6-9-14)13(2)21(20-16)17-18-10-7-11-19-17/h4-11H,3,12H2,1-2H3
InChIKeyOFYCSRMUCHFIRJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.96
Rot. Bonds5

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine (PubChem CID 118430537) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
PubChem CID118430537
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
SMILESCCOc1nn(-c2ncccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C17H18N4O/c1-3-22-16-15(12-14-8-5-4-6-9-14)13(2)21(20-16)17-18-10-7-11-19-17/h4-11H,3,12H2,1-2H3
InChIKeyOFYCSRMUCHFIRJ-UHFFFAOYSA-N
XLogP2.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.96
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-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
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
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine (CID 118430537) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine is CCOc1nn(-c2ncccn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine?
The InChIKey is OFYCSRMUCHFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-22-16-15(12-14-8-5-4-6-9-14)13(2)21(20-16)17-18-10-7-11-19-17/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 2.96, 5 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)pyrimidine is sourced from PubChem (CID 118430537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).