3,4-dichloro-1,5-dimethylpyrazole

C5H6Cl2N2 — CID 23392053

IUPAC3,4-dichloro-1,5-dimethylpyrazole
SMILESCc1c(Cl)c(Cl)nn1C
InChIInChI=1S/C5H6Cl2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3
InChIKeyOIVXURMADAJFFQ-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.04
Rot. Bonds

About 3,4-dichloro-1,5-dimethylpyrazole

3,4-dichloro-1,5-dimethylpyrazole (PubChem CID 23392053) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 3,4-dichloro-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3,4-dichloro-1,5-dimethylpyrazole
PubChem CID23392053
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name3,4-dichloro-1,5-dimethylpyrazole
SMILESCc1c(Cl)c(Cl)nn1C
InChIInChI=1S/C5H6Cl2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3
InChIKeyOIVXURMADAJFFQ-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,5-dimethylpyrazole?
The IUPAC name of 3,4-dichloro-1,5-dimethylpyrazole (CID 23392053) is 3,4-dichloro-1,5-dimethylpyrazole.
What is the SMILES notation for 3,4-dichloro-1,5-dimethylpyrazole?
The canonical SMILES for 3,4-dichloro-1,5-dimethylpyrazole is Cc1c(Cl)c(Cl)nn1C.
What is the InChIKey of 3,4-dichloro-1,5-dimethylpyrazole?
The InChIKey is OIVXURMADAJFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3.
What are the key properties of 3,4-dichloro-1,5-dimethylpyrazole?
3,4-dichloro-1,5-dimethylpyrazole has a molecular weight of 165.02 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,5-dimethylpyrazole is sourced from PubChem (CID 23392053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).