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

C25H19ClF4N2O2 — CID 19587270

IUPAC4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C25H19ClF4N2O2/c1-15-8-10-16(11-9-15)14-32-23(18-5-3-7-20(13-18)34-25(29)30)21(26)22(31-32)17-4-2-6-19(12-17)33-24(27)28/h2-13,24-25H,14H2,1H3
InChIKeyGAHACFNZJFQRPG-UHFFFAOYSA-N
MW490.88 g/mol
LogP7.43
Rot. Bonds8

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

4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 19587270) has the molecular formula C25H19ClF4N2O2 and a molecular weight of 490.88 g/mol. Its IUPAC name is 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID19587270
Molecular FormulaC25H19ClF4N2O2
Molecular Weight490.88 g/mol
Exact Mass490.11
IUPAC Name4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C25H19ClF4N2O2/c1-15-8-10-16(11-9-15)14-32-23(18-5-3-7-20(13-18)34-25(29)30)21(26)22(31-32)17-4-2-6-19(12-17)33-24(27)28/h2-13,24-25H,14H2,1H3
InChIKeyGAHACFNZJFQRPG-UHFFFAOYSA-N
XLogP7.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.88
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532978
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533079
3-(3,4-Dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-5-phenylpyrazole
CID 177651639
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
1-[(3-Methoxyphenyl)methyl]-3,4-diphenylpyrazole
CID 177651716
4-Chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 102127698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole (CID 19587270) is 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is GAHACFNZJFQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF4N2O2/c1-15-8-10-16(11-9-15)14-32-23(18-5-3-7-20(13-18)34-25(29)30)21(26)22(31-32)17-4-2-6-19(12-17)33-24(27)28/h2-13,24-25H,14H2,1H3.
What are the key properties of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole?
4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 490.88 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 19587270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).