4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole

C10H15ClN2 — CID 130642452

IUPAC4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1C1CCCC1Cl
InChIInChI=1S/C10H15ClN2/c1-7-9(6-13(2)12-7)8-4-3-5-10(8)11/h6,8,10H,3-5H2,1-2H3
InChIKeyIYEGBEHZUJTWNM-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.60
Rot. Bonds1

About 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole

4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole (PubChem CID 130642452) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole
PubChem CID130642452
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1C1CCCC1Cl
InChIInChI=1S/C10H15ClN2/c1-7-9(6-13(2)12-7)8-4-3-5-10(8)11/h6,8,10H,3-5H2,1-2H3
InChIKeyIYEGBEHZUJTWNM-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.60
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-(2-chlorocyclopentyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole (CID 130642452) is 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole is Cc1nn(C)cc1C1CCCC1Cl.
What is the InChIKey of 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole?
The InChIKey is IYEGBEHZUJTWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7-9(6-13(2)12-7)8-4-3-5-10(8)11/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole?
4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclopentyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 130642452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).