2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

C15H20ClN3O — CID 62732030

IUPAC2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3
InChIKeyXPEBZGJPMVCCJW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.64
Rot. Bonds5

About 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 62732030) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID62732030
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3
InChIKeyXPEBZGJPMVCCJW-UHFFFAOYSA-N
XLogP3.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(Azidomethyl)-4-methoxy-3,5-dimethylpyridine
CID 25219407
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 53557452
4-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53571050
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 51105424
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methoxypyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 91830724
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 99816435
1-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazole-4-carbonitrile
CID 132372955
4-Methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140701070
[1-[[4-Methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195471
1-[[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175098349
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 107488937
N-(2-chloroethyl)-2,2-difluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 113965297

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine (CID 62732030) is 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is CCC(Cl)c1cnn(Cc2ncc(C)c(OC)c2C)c1.
What is the InChIKey of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is XPEBZGJPMVCCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-13(16)12-7-18-19(8-12)9-14-11(3)15(20-4)10(2)6-17-14/h6-8,13H,5,9H2,1-4H3.
What are the key properties of 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 293.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 62732030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).