1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole

C11H10Cl2N2 — CID 1072358

IUPAC1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3
InChIKeyMVIUYYPHVMQEJY-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.80
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole

1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole (PubChem CID 1072358) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole
PubChem CID1072358
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3
InChIKeyMVIUYYPHVMQEJY-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole (CID 1072358) is 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The InChIKey is MVIUYYPHVMQEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 1072358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).