1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole

C15H8Cl2F2N2 — CID 118244564

IUPAC1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole
SMILESFc1cc(Cl)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H8Cl2F2N2/c16-10-5-9(6-11(18)7-10)15-3-4-20-21(15)12-1-2-14(19)13(17)8-12/h1-8H
InChIKeyLESHEOJWEWAZLD-UHFFFAOYSA-N
MW325.15 g/mol
LogP5.12
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole

1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole (PubChem CID 118244564) has the molecular formula C15H8Cl2F2N2 and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole
PubChem CID118244564
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole
SMILESFc1cc(Cl)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H8Cl2F2N2/c16-10-5-9(6-11(18)7-10)15-3-4-20-21(15)12-1-2-14(19)13(17)8-12/h1-8H
InChIKeyLESHEOJWEWAZLD-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.15
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
CID 73053293
1-[1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 175269343
2-chloro-4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 118555324
carbon dioxide;2-chloro-4-[5-[3-chloro-5-(difluoromethoxy)phenyl]pyrazol-1-yl]pyridine
CID 157368984
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145
1-(3-chloro-4-fluorophenyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazole-3-carboxylic acid
CID 58277289
4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 174711203
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
1-(3-fluorophenyl)-5-[3-(4-fluorophenyl)phenyl]pyrazole
CID 174813852
1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine
CID 67377976
5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole
CID 1477321
[5-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl] ethyl carbonate
CID 68639296

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole (CID 118244564) is 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole is Fc1cc(Cl)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole?
The InChIKey is LESHEOJWEWAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c16-10-5-9(6-11(18)7-10)15-3-4-20-21(15)12-1-2-14(19)13(17)8-12/h1-8H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole?
1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole has a molecular weight of 325.15 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole is sourced from PubChem (CID 118244564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).