3-(chloromethyl)-1,5-dimethylpyrazole

C6H9ClN2 — CID 7537475

IUPAC3-(chloromethyl)-1,5-dimethylpyrazole
SMILESCc1cc(CCl)nn1C
InChIInChI=1S/C6H9ClN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3
InChIKeyBXDLNPSUWNWPNY-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.47
Rot. Bonds1

About 3-(chloromethyl)-1,5-dimethylpyrazole

3-(chloromethyl)-1,5-dimethylpyrazole (PubChem CID 7537475) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-(chloromethyl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1,5-dimethylpyrazole
PubChem CID7537475
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name3-(chloromethyl)-1,5-dimethylpyrazole
SMILESCc1cc(CCl)nn1C
InChIInChI=1S/C6H9ClN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3
InChIKeyBXDLNPSUWNWPNY-UHFFFAOYSA-N
XLogP1.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.47
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)-1,5-dimethylpyrazole?
The IUPAC name of 3-(chloromethyl)-1,5-dimethylpyrazole (CID 7537475) is 3-(chloromethyl)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(chloromethyl)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(chloromethyl)-1,5-dimethylpyrazole is Cc1cc(CCl)nn1C.
What is the InChIKey of 3-(chloromethyl)-1,5-dimethylpyrazole?
The InChIKey is BXDLNPSUWNWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3.
What are the key properties of 3-(chloromethyl)-1,5-dimethylpyrazole?
3-(chloromethyl)-1,5-dimethylpyrazole has a molecular weight of 144.60 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1,5-dimethylpyrazole is sourced from PubChem (CID 7537475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).