1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane

C14H16Cl2N2 — CID 143191990

IUPAC1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane
SMILESC=c1cnn(Cc2ccc(Cl)cc2Cl)c1=C.CC
InChIInChI=1S/C12H10Cl2N2.C2H6/c1-8-6-15-16(9(8)2)7-10-3-4-11(13)5-12(10)14;1-2/h3-6H,1-2,7H2;1-2H3
InChIKeyLSYZEPBAHQNBSS-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.09
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane

1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane (PubChem CID 143191990) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane
PubChem CID143191990
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane
SMILESC=c1cnn(Cc2ccc(Cl)cc2Cl)c1=C.CC
InChIInChI=1S/C12H10Cl2N2.C2H6/c1-8-6-15-16(9(8)2)7-10-3-4-11(13)5-12(10)14;1-2/h3-6H,1-2,7H2;1-2H3
InChIKeyLSYZEPBAHQNBSS-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane (CID 143191990) is 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane is C=c1cnn(Cc2ccc(Cl)cc2Cl)c1=C.CC.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane?
The InChIKey is LSYZEPBAHQNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.C2H6/c1-8-6-15-16(9(8)2)7-10-3-4-11(13)5-12(10)14;1-2/h3-6H,1-2,7H2;1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane?
1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane has a molecular weight of 283.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylidenepyrazole;ethane is sourced from PubChem (CID 143191990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).