5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole

C13H14Cl2N2 — CID 66016298

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C
InChIInChI=1S/C13H14Cl2N2/c1-3-12-9(2)13(15)17(16-12)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyIJSIUSFZQREHHP-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.11
Rot. Bonds3

About 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole

5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole (PubChem CID 66016298) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
PubChem CID66016298
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C
InChIInChI=1S/C13H14Cl2N2/c1-3-12-9(2)13(15)17(16-12)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyIJSIUSFZQREHHP-UHFFFAOYSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole (CID 66016298) is 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole is CCc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole?
The InChIKey is IJSIUSFZQREHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-3-12-9(2)13(15)17(16-12)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole?
5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole has a molecular weight of 269.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole is sourced from PubChem (CID 66016298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).