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

C24H16Cl2F4N2O2 — CID 19587389

IUPAC4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC(F)F)c3)c2Cl)c1
InChIInChI=1S/C24H16Cl2F4N2O2/c25-17-9-7-14(8-10-17)13-32-22(16-4-2-6-19(12-16)34-24(29)30)20(26)21(31-32)15-3-1-5-18(11-15)33-23(27)28/h1-12,23-24H,13H2
InChIKeyMXTSBBKLPKLFJU-UHFFFAOYSA-N
MW511.30 g/mol
LogP7.78
Rot. Bonds8

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

4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587389) 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[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587389
Molecular FormulaC24H16Cl2F4N2O2
Molecular Weight511.30 g/mol
Exact Mass510.05
IUPAC Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC(F)F)c3)c2Cl)c1
InChIInChI=1S/C24H16Cl2F4N2O2/c25-17-9-7-14(8-10-17)13-32-22(16-4-2-6-19(12-16)34-24(29)30)20(26)21(31-32)15-3-1-5-18(11-15)33-23(27)28/h1-12,23-24H,13H2
InChIKeyMXTSBBKLPKLFJU-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

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533079
3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole
CID 24204419
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
5-Chloro-3-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 135024577
1-[(3-Methoxyphenyl)methyl]-3,5-diphenylpyrazole
CID 177651701
4-Chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 102127698
3-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 135065097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19587389) is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC(F)F)c3)c2Cl)c1.
What is the InChIKey of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is MXTSBBKLPKLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F4N2O2/c25-17-9-7-14(8-10-17)13-32-22(16-4-2-6-19(12-16)34-24(29)30)20(26)21(31-32)15-3-1-5-18(11-15)33-23(27)28/h1-12,23-24H,13H2.
What are the key properties of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis[3-(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[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).