3-(chloromethyl)-1-cyclopentylpyrazole

C9H13ClN2 — CID 50896697

IUPAC3-(chloromethyl)-1-cyclopentylpyrazole
SMILESClCc1ccn(C2CCCC2)n1
InChIInChI=1S/C9H13ClN2/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2
InChIKeyAVXQYBVQSTYEEM-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.74
Rot. Bonds2

About 3-(chloromethyl)-1-cyclopentylpyrazole

3-(chloromethyl)-1-cyclopentylpyrazole (PubChem CID 50896697) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclopentylpyrazole
PubChem CID50896697
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-(chloromethyl)-1-cyclopentylpyrazole
SMILESClCc1ccn(C2CCCC2)n1
InChIInChI=1S/C9H13ClN2/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2
InChIKeyAVXQYBVQSTYEEM-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.74
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 3-(chloromethyl)-1-cyclopentylpyrazole?
The IUPAC name of 3-(chloromethyl)-1-cyclopentylpyrazole (CID 50896697) is 3-(chloromethyl)-1-cyclopentylpyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-cyclopentylpyrazole?
The canonical SMILES for 3-(chloromethyl)-1-cyclopentylpyrazole is ClCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(chloromethyl)-1-cyclopentylpyrazole?
The InChIKey is AVXQYBVQSTYEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2.
What are the key properties of 3-(chloromethyl)-1-cyclopentylpyrazole?
3-(chloromethyl)-1-cyclopentylpyrazole has a molecular weight of 184.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclopentylpyrazole is sourced from PubChem (CID 50896697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).