5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine

C12H14ClN3O — CID 116802686

IUPAC5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
SMILESCCn1cc(Oc2cc(C)ncc2CCl)cn1
InChIInChI=1S/C12H14ClN3O/c1-3-16-8-11(7-15-16)17-12-4-9(2)14-6-10(12)5-13/h4,6-8H,3,5H2,1-2H3
InChIKeyBNLPUKFBUFJDKL-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.14
Rot. Bonds4

About 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine

5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine (PubChem CID 116802686) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
PubChem CID116802686
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
SMILESCCn1cc(Oc2cc(C)ncc2CCl)cn1
InChIInChI=1S/C12H14ClN3O/c1-3-16-8-11(7-15-16)17-12-4-9(2)14-6-10(12)5-13/h4,6-8H,3,5H2,1-2H3
InChIKeyBNLPUKFBUFJDKL-UHFFFAOYSA-N
XLogP3.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.14
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

4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116793446
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine (CID 116802686) is 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine is CCn1cc(Oc2cc(C)ncc2CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine?
The InChIKey is BNLPUKFBUFJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-16-8-11(7-15-16)17-12-4-9(2)14-6-10(12)5-13/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine?
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine has a molecular weight of 251.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine is sourced from PubChem (CID 116802686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).