2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine

C14H18ClN3O — CID 82895598

IUPAC2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(Cn2nc(C)c(CCl)c2C)c1
InChIInChI=1S/C14H18ClN3O/c1-9-5-13(19-4)6-12(16-9)8-18-11(3)14(7-15)10(2)17-18/h5-6H,7-8H2,1-4H3
InChIKeyUILOKYUYMBXCJR-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.00
Rot. Bonds4

About 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine

2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine (PubChem CID 82895598) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine
PubChem CID82895598
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(Cn2nc(C)c(CCl)c2C)c1
InChIInChI=1S/C14H18ClN3O/c1-9-5-13(19-4)6-12(16-9)8-18-11(3)14(7-15)10(2)17-18/h5-6H,7-8H2,1-4H3
InChIKeyUILOKYUYMBXCJR-UHFFFAOYSA-N
XLogP3.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine (CID 82895598) is 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(Cn2nc(C)c(CCl)c2C)c1.
What is the InChIKey of 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is UILOKYUYMBXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-5-13(19-4)6-12(16-9)8-18-11(3)14(7-15)10(2)17-18/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine?
2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 279.77 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 82895598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).