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

C18H19N3O — CID 118430650

IUPAC2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine
SMILESCOc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-13-9-10-17(19-12-13)21-14(2)16(18(20-21)22-3)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3
InChIKeyUMMVDZLZSNTLQU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds4

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

2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine (PubChem CID 118430650) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine
PubChem CID118430650
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine
SMILESCOc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-13-9-10-17(19-12-13)21-14(2)16(18(20-21)22-3)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3
InChIKeyUMMVDZLZSNTLQU-UHFFFAOYSA-N
XLogP3.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(1,1-difluoroethyl)pyridine
CID 118430523
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
CID 122180735
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropyl-3-fluoropyridine
CID 118430641
1-benzyl-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phthalazine
CID 123615357
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
CID 139373881
4-benzyl-2,5-dimethoxypyridine-3-carboxamide
CID 155093017
1-(3-methoxy-1,5-dimethylpyrazol-4-yl)-N-phenylmethoxymethanamine
CID 82666137
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 61237579
4-benzyl-3,5-dimethylpyrazole-1-carboxylic acid;hydrochloride
CID 70610186
[1-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62949604

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The IUPAC name of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine (CID 118430650) is 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine.
What is the SMILES notation for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The canonical SMILES for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine is COc1nn(-c2ccc(C)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
The InChIKey is UMMVDZLZSNTLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-9-10-17(19-12-13)21-14(2)16(18(20-21)22-3)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine?
2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine has a molecular weight of 293.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-methylpyridine is sourced from PubChem (CID 118430650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).