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

C25H20F4N2O3 — CID 19586923

IUPAC3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3
InChIKeyGMQAMEPVRUZDJP-UHFFFAOYSA-N
MW472.44 g/mol
LogP6.48
Rot. Bonds9

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

3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 19586923) has the molecular formula C25H20F4N2O3 and a molecular weight of 472.44 g/mol. Its IUPAC name is 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID19586923
Molecular FormulaC25H20F4N2O3
Molecular Weight472.44 g/mol
Exact Mass472.14
IUPAC Name3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3
InChIKeyGMQAMEPVRUZDJP-UHFFFAOYSA-N
XLogP6.48
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
1-[[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 17025607
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587440
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
3-[[4-[[3-(3-chloro-5-methylphenyl)-5-(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 142930209
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone
CID 141429120

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole (CID 19586923) is 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is GMQAMEPVRUZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3.
What are the key properties of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 472.44 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19586923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).