4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine

C13H16ClN3 — CID 105067574

IUPAC4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine
SMILESCCc1cc(CC)n(-c2cnccc2CCl)n1
InChIInChI=1S/C13H16ClN3/c1-3-11-7-12(4-2)17(16-11)13-9-15-6-5-10(13)8-14/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHBIHMBCMZINKSX-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.13
Rot. Bonds4

About 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine

4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine (PubChem CID 105067574) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine
PubChem CID105067574
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine
SMILESCCc1cc(CC)n(-c2cnccc2CCl)n1
InChIInChI=1S/C13H16ClN3/c1-3-11-7-12(4-2)17(16-11)13-9-15-6-5-10(13)8-14/h5-7,9H,3-4,8H2,1-2H3
InChIKeyHBIHMBCMZINKSX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine (CID 105067574) is 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine is CCc1cc(CC)n(-c2cnccc2CCl)n1.
What is the InChIKey of 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine?
The InChIKey is HBIHMBCMZINKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-11-7-12(4-2)17(16-11)13-9-15-6-5-10(13)8-14/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine?
4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 105067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).