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

C19H21N3O — CID 118430565

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
SMILESCCOc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-4-23-19-17(12-16-8-6-5-7-9-16)15(3)22(21-19)18-11-10-14(2)13-20-18/h5-11,13H,4,12H2,1-3H3
InChIKeyWFQATVRWXDCIHX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.87
Rot. Bonds5

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine (PubChem CID 118430565) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
PubChem CID118430565
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
SMILESCCOc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-4-23-19-17(12-16-8-6-5-7-9-16)15(3)22(21-19)18-11-10-14(2)13-20-18/h5-11,13H,4,12H2,1-3H3
InChIKeyWFQATVRWXDCIHX-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dhodh-IN-1
CID 118430456
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
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
hDHODH-IN-4
CID 118430507
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
2-fluoro-6-[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine
CID 4271463
2-phenyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine
CID 17757030
N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
CID 46947912
1-Methyl-3-phenyl-6-(2-pyridinylmethoxy)-1H-pyrazolo[3,4-b]pyridine
CID 76336232

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine (CID 118430565) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine is CCOc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The InChIKey is WFQATVRWXDCIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-23-19-17(12-16-8-6-5-7-9-16)15(3)22(21-19)18-11-10-14(2)13-20-18/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine has a molecular weight of 307.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine is sourced from PubChem (CID 118430565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).