2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine

C13H16ClN3 — CID 60893202

IUPAC2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
SMILESCc1nn(CCc2ccccn2)c(C)c1CCl
InChIInChI=1S/C13H16ClN3/c1-10-13(9-14)11(2)17(16-10)8-6-12-5-3-4-7-15-12/h3-5,7H,6,8-9H2,1-2H3
InChIKeyBRJBVHQMGCUDQC-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.88
Rot. Bonds4

About 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine

2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine (PubChem CID 60893202) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
PubChem CID60893202
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
SMILESCc1nn(CCc2ccccn2)c(C)c1CCl
InChIInChI=1S/C13H16ClN3/c1-10-13(9-14)11(2)17(16-10)8-6-12-5-3-4-7-15-12/h3-5,7H,6,8-9H2,1-2H3
InChIKeyBRJBVHQMGCUDQC-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
acetic acid;2-(chloromethyl)pyridine
CID 174751578
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
1-(1-benzothiophen-3-ylmethyl)-4-(chloromethyl)-3,5-dimethylpyrazole
CID 63738820
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 65445831
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 62533244
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
CID 63819797

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine (CID 60893202) is 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine is Cc1nn(CCc2ccccn2)c(C)c1CCl.
What is the InChIKey of 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine?
The InChIKey is BRJBVHQMGCUDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10-13(9-14)11(2)17(16-10)8-6-12-5-3-4-7-15-12/h3-5,7H,6,8-9H2,1-2H3.
What are the key properties of 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine?
2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine has a molecular weight of 249.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 60893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).