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

C17H13Cl2FN2 — CID 975461

IUPAC4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2FN2/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)14-6-4-13(20)5-7-14/h3-9H,1-2H3
InChIKeyGNAWQGQLSXOZPG-UHFFFAOYSA-N
MW335.21 g/mol
LogP5.60
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole (PubChem CID 975461) has the molecular formula C17H13Cl2FN2 and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole
PubChem CID975461
Molecular FormulaC17H13Cl2FN2
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2FN2/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)14-6-4-13(20)5-7-14/h3-9H,1-2H3
InChIKeyGNAWQGQLSXOZPG-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.21
LogP ≤ 55.60
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-fluorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole (CID 975461) is 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole is Cc1nn(-c2ccc(F)cc2)c(C)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole?
The InChIKey is GNAWQGQLSXOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2/c1-10-17(12-3-8-15(18)16(19)9-12)11(2)22(21-10)14-6-4-13(20)5-7-14/h3-9H,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole?
4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole has a molecular weight of 335.21 g/mol, XLogP of 5.60, 2 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-fluorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 975461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).