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

C19H18Cl2N2 — CID 2285076

IUPAC4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole
SMILESCCc1ccc(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C19H18Cl2N2/c1-4-14-5-8-16(9-6-14)23-13(3)19(12(2)22-23)15-7-10-17(20)18(21)11-15/h5-11H,4H2,1-3H3
InChIKeyPZNWPEUOLCVVNH-UHFFFAOYSA-N
MW345.27 g/mol
LogP6.03
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole (PubChem CID 2285076) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole
PubChem CID2285076
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole
SMILESCCc1ccc(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C19H18Cl2N2/c1-4-14-5-8-16(9-6-14)23-13(3)19(12(2)22-23)15-7-10-17(20)18(21)11-15/h5-11H,4H2,1-3H3
InChIKeyPZNWPEUOLCVVNH-UHFFFAOYSA-N
XLogP6.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole (CID 2285076) is 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole is CCc1ccc(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole?
The InChIKey is PZNWPEUOLCVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c1-4-14-5-8-16(9-6-14)23-13(3)19(12(2)22-23)15-7-10-17(20)18(21)11-15/h5-11H,4H2,1-3H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole?
4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole has a molecular weight of 345.27 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 2285076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).