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

C19H21N3O2 — CID 118430684

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine
SMILESCCOc1nn(-c2ccc(OC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-4-24-19-17(12-15-8-6-5-7-9-15)14(2)22(21-19)18-11-10-16(23-3)13-20-18/h5-11,13H,4,12H2,1-3H3
InChIKeyJMWFZCKFBFAUNU-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds6

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine (PubChem CID 118430684) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine
PubChem CID118430684
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine
SMILESCCOc1nn(-c2ccc(OC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-4-24-19-17(12-15-8-6-5-7-9-15)14(2)22(21-19)18-11-10-16(23-3)13-20-18/h5-11,13H,4,12H2,1-3H3
InChIKeyJMWFZCKFBFAUNU-UHFFFAOYSA-N
XLogP3.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ly-3200882
CID 121249291
Dhodh-IN-1
CID 118430456
Methyl substituted pyrazole, 28
CID 23648676
3-[(1r)-1-(5-Fluoro-2-Methoxyphenyl)ethoxy]-5-(1-Methyl-1h-1,2,3-Triazol-5-Yl)pyridin-2-Amine
CID 67467779
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
14-Fluoro-3-methyl-10,18-dioxa-3,4,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),4,11(16),12,14,19,21-octaen-20-amine
CID 71732092
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082
methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138083
ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138084

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine (CID 118430684) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine is CCOc1nn(-c2ccc(OC)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine?
The InChIKey is JMWFZCKFBFAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-24-19-17(12-15-8-6-5-7-9-15)14(2)22(21-19)18-11-10-16(23-3)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-methoxypyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine has a molecular weight of 323.40 g/mol, XLogP of 3.57, 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-methoxypyridine is sourced from PubChem (CID 118430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).