3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine

C14H16ClN3 — CID 90417182

IUPAC3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine
SMILESClCc1cccnc1-c1ccnn1C1CCCC1
InChIInChI=1S/C14H16ClN3/c15-10-11-4-3-8-16-14(11)13-7-9-17-18(13)12-5-1-2-6-12/h3-4,7-9,12H,1-2,5-6,10H2
InChIKeyARDOSXPGNXWEIT-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.80
Rot. Bonds3

About 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine

3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine (PubChem CID 90417182) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine
PubChem CID90417182
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine
SMILESClCc1cccnc1-c1ccnn1C1CCCC1
InChIInChI=1S/C14H16ClN3/c15-10-11-4-3-8-16-14(11)13-7-9-17-18(13)12-5-1-2-6-12/h3-4,7-9,12H,1-2,5-6,10H2
InChIKeyARDOSXPGNXWEIT-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.80
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 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine (CID 90417182) is 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine is ClCc1cccnc1-c1ccnn1C1CCCC1.
What is the InChIKey of 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine?
The InChIKey is ARDOSXPGNXWEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-10-11-4-3-8-16-14(11)13-7-9-17-18(13)12-5-1-2-6-12/h3-4,7-9,12H,1-2,5-6,10H2.
What are the key properties of 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine?
3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine has a molecular weight of 261.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-cyclopentylpyrazol-3-yl)pyridine is sourced from PubChem (CID 90417182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).