4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole

C11H17ClN2 — CID 66438608

IUPAC4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
SMILESCCc1c(CCl)cnn1C1CCCC1
InChIInChI=1S/C11H17ClN2/c1-2-11-9(7-12)8-13-14(11)10-5-3-4-6-10/h8,10H,2-7H2,1H3
InChIKeyGXFGDIJDXCDVRY-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.30
Rot. Bonds3

About 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole

4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole (PubChem CID 66438608) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
PubChem CID66438608
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
SMILESCCc1c(CCl)cnn1C1CCCC1
InChIInChI=1S/C11H17ClN2/c1-2-11-9(7-12)8-13-14(11)10-5-3-4-6-10/h8,10H,2-7H2,1H3
InChIKeyGXFGDIJDXCDVRY-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.30
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 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole (CID 66438608) is 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole is CCc1c(CCl)cnn1C1CCCC1.
What is the InChIKey of 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole?
The InChIKey is GXFGDIJDXCDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-2-11-9(7-12)8-13-14(11)10-5-3-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole?
4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole is sourced from PubChem (CID 66438608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).