4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole

C17H13Cl2FN2O — CID 141279737

IUPAC4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccccc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-10-16(12-8-7-11(20)9-14(12)19)17(22(2)21-10)23-15-6-4-3-5-13(15)18/h3-9H,1-2H3
InChIKeyOEHIFRMEUZRGOS-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.63
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole

4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole (PubChem CID 141279737) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
PubChem CID141279737
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccccc2Cl)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-10-16(12-8-7-11(20)9-14(12)19)17(22(2)21-10)23-15-6-4-3-5-13(15)18/h3-9H,1-2H3
InChIKeyOEHIFRMEUZRGOS-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
CID 137458585
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
CID 140655061
3-bromo-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]oxybenzonitrile
CID 67135586
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-5,7-difluorobenzimidazole
CID 137458561
5-[bromo-(2,4-difluorophenyl)methyl]-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
CID 66765584
N-(2-bromo-6-methylphenyl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
CID 66612593
5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66014073
1-N-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-methoxybenzene-1,2-diamine
CID 137458410
5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66614030
4-(2-chloro-4-fluorophenyl)-5-[4-(2-cyclopropylethynyl)-2,6-difluorophenyl]-1,3-dimethylpyrazole
CID 141446139

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole (CID 141279737) is 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole is Cc1nn(C)c(Oc2ccccc2Cl)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole?
The InChIKey is OEHIFRMEUZRGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c1-10-16(12-8-7-11(20)9-14(12)19)17(22(2)21-10)23-15-6-4-3-5-13(15)18/h3-9H,1-2H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole?
4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole has a molecular weight of 351.21 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole is sourced from PubChem (CID 141279737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).