4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

C24H16Cl2F4N2O2 — CID 19586876

IUPAC4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C24H16Cl2F4N2O2/c25-17-7-1-14(2-8-17)13-32-22(16-5-11-19(12-6-16)34-24(29)30)20(26)21(31-32)15-3-9-18(10-4-15)33-23(27)28/h1-12,23-24H,13H2
InChIKeyWJZFAIQKDFMYNH-UHFFFAOYSA-N
MW511.30 g/mol
LogP7.78
Rot. Bonds8

About 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19586876) has the molecular formula C24H16Cl2F4N2O2 and a molecular weight of 511.30 g/mol. Its IUPAC name is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID19586876
Molecular FormulaC24H16Cl2F4N2O2
Molecular Weight511.30 g/mol
Exact Mass510.05
IUPAC Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C24H16Cl2F4N2O2/c25-17-7-1-14(2-8-17)13-32-22(16-5-11-19(12-6-16)34-24(29)30)20(26)21(31-32)15-3-9-18(10-4-15)33-23(27)28/h1-12,23-24H,13H2
InChIKeyWJZFAIQKDFMYNH-UHFFFAOYSA-N
XLogP7.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
2-[4-[3,5-Bis(trifluoromethyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
1-[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-phenylmethanimine
CID 72198031
N-((1-(4-chlorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl)methylene)-4-methoxyaniline
CID 72198032
N-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanimine
CID 72198033
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127027631
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127027632
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
3-Chloro-5-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 44256427
3-Chloro-4-(2,6-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazole
CID 44256428
1-Benzyl-5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)pyrazole
CID 66881156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 19586876) is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is WJZFAIQKDFMYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F4N2O2/c25-17-7-1-14(2-8-17)13-32-22(16-5-11-19(12-6-16)34-24(29)30)20(26)21(31-32)15-3-9-18(10-4-15)33-23(27)28/h1-12,23-24H,13H2.
What are the key properties of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 511.30 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19586876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).