5-(2-chlorocyclohexyl)-1-ethylpyrazole

C11H17ClN2 — CID 63974718

IUPAC5-(2-chlorocyclohexyl)-1-ethylpyrazole
SMILESCCn1nccc1C1CCCCC1Cl
InChIInChI=1S/C11H17ClN2/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h7-10H,2-6H2,1H3
InChIKeySQUCIMFLBZFNPR-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.17
Rot. Bonds2

About 5-(2-chlorocyclohexyl)-1-ethylpyrazole

5-(2-chlorocyclohexyl)-1-ethylpyrazole (PubChem CID 63974718) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-(2-chlorocyclohexyl)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(2-chlorocyclohexyl)-1-ethylpyrazole
PubChem CID63974718
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-(2-chlorocyclohexyl)-1-ethylpyrazole
SMILESCCn1nccc1C1CCCCC1Cl
InChIInChI=1S/C11H17ClN2/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h7-10H,2-6H2,1H3
InChIKeySQUCIMFLBZFNPR-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(2-chlorocyclohexyl)-1-ethylpyrazole?
The IUPAC name of 5-(2-chlorocyclohexyl)-1-ethylpyrazole (CID 63974718) is 5-(2-chlorocyclohexyl)-1-ethylpyrazole.
What is the SMILES notation for 5-(2-chlorocyclohexyl)-1-ethylpyrazole?
The canonical SMILES for 5-(2-chlorocyclohexyl)-1-ethylpyrazole is CCn1nccc1C1CCCCC1Cl.
What is the InChIKey of 5-(2-chlorocyclohexyl)-1-ethylpyrazole?
The InChIKey is SQUCIMFLBZFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-2-14-11(7-8-13-14)9-5-3-4-6-10(9)12/h7-10H,2-6H2,1H3.
What are the key properties of 5-(2-chlorocyclohexyl)-1-ethylpyrazole?
5-(2-chlorocyclohexyl)-1-ethylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorocyclohexyl)-1-ethylpyrazole is sourced from PubChem (CID 63974718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).