4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole

C21H12Cl2F2N2 — CID 19587147

IUPAC4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C21H12Cl2F2N2/c22-17-3-1-2-4-18(17)27-21(14-7-11-16(25)12-8-14)19(23)20(26-27)13-5-9-15(24)10-6-13/h1-12H
InChIKeyJXUYOZYDPGVXRZ-UHFFFAOYSA-N
MW401.24 g/mol
LogP6.79
Rot. Bonds3

About 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole

4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole (PubChem CID 19587147) has the molecular formula C21H12Cl2F2N2 and a molecular weight of 401.24 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole
PubChem CID19587147
Molecular FormulaC21H12Cl2F2N2
Molecular Weight401.24 g/mol
Exact Mass400.03
IUPAC Name4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C21H12Cl2F2N2/c22-17-3-1-2-4-18(17)27-21(14-7-11-16(25)12-8-14)19(23)20(26-27)13-5-9-15(24)10-6-13/h1-12H
InChIKeyJXUYOZYDPGVXRZ-UHFFFAOYSA-N
XLogP6.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.24
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
CID 69228973
2-(2-chlorophenyl)-4-phenylphthalazin-1-one
CID 69161098
2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667891
4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
5-bromo-1-(2-chlorophenyl)-3-(3,5-difluorophenyl)pyrazole-4-carbaldehyde
CID 87405837
2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 11440962
1-(2-chlorophenyl)-3-(4-phenylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3903489
4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole (CID 19587147) is 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole is Fc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole?
The InChIKey is JXUYOZYDPGVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N2/c22-17-3-1-2-4-18(17)27-21(14-7-11-16(25)12-8-14)19(23)20(26-27)13-5-9-15(24)10-6-13/h1-12H.
What are the key properties of 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole?
4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole has a molecular weight of 401.24 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole is sourced from PubChem (CID 19587147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).