4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide

C25H19F4N3O4 — CID 175848072

IUPAC4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(-c3cc(OC(F)F)ccc3C(N)=O)c(=O)n(-c3ccccc3)n2C)c(F)c1
InChIInChI=1S/C25H19F4N3O4/c1-31-22(21-18(26)11-15(35-2)12-19(21)27)20(24(34)32(31)13-6-4-3-5-7-13)17-10-14(36-25(28)29)8-9-16(17)23(30)33/h3-12,25H,1-2H3,(H2,30,33)
InChIKeyTZPFBISUVSRKNX-UHFFFAOYSA-N
MW501.44 g/mol
LogP4.50
Rot. Bonds7

About 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide

4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide (PubChem CID 175848072) has the molecular formula C25H19F4N3O4 and a molecular weight of 501.44 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide
PubChem CID175848072
Molecular FormulaC25H19F4N3O4
Molecular Weight501.44 g/mol
Exact Mass501.13
IUPAC Name4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide
SMILESCOc1cc(F)c(-c2c(-c3cc(OC(F)F)ccc3C(N)=O)c(=O)n(-c3ccccc3)n2C)c(F)c1
InChIInChI=1S/C25H19F4N3O4/c1-31-22(21-18(26)11-15(35-2)12-19(21)27)20(24(34)32(31)13-6-4-3-5-7-13)17-10-14(36-25(28)29)8-9-16(17)23(30)33/h3-12,25H,1-2H3,(H2,30,33)
InChIKeyTZPFBISUVSRKNX-UHFFFAOYSA-N
XLogP4.50
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide
CID 175848197
4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-(5-methoxy-3-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
CID 162436939
N-[1-(3-chloro-2-fluorophenyl)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrazol-4-yl]-4-(difluoromethoxy)benzamide
CID 162437170
4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-(6-ethyl-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
CID 162437073
4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-[6-(2-hydroxyethylamino)-4-methoxy-2-pyridinyl]-2-methyl-5-oxopyrazol-4-yl]benzamide
CID 162437115
4-(difluoromethoxy)-N-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]benzamide
CID 162437101
N-[1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrazol-4-yl]-4-(difluoromethoxy)benzamide
CID 162437143
N-[1-[6-chloro-3-(dimethylamino)-2-pyridinyl]-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrazol-4-yl]-4-(difluoromethoxy)benzamide
CID 169016012
4-(difluoromethoxy)-N-[3-(2,6-difluoro-4-methoxyphenyl)-1-(4-methoxy-6-morpholin-4-yl-2-pyridinyl)-2-methyl-5-oxopyrazol-4-yl]benzamide
CID 162436878
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one
CID 162436941
4-(difluoromethoxy)-2-hydroxybenzamide
CID 141002128

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide (CID 175848072) is 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide is COc1cc(F)c(-c2c(-c3cc(OC(F)F)ccc3C(N)=O)c(=O)n(-c3ccccc3)n2C)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide?
The InChIKey is TZPFBISUVSRKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O4/c1-31-22(21-18(26)11-15(35-2)12-19(21)27)20(24(34)32(31)13-6-4-3-5-7-13)17-10-14(36-25(28)29)8-9-16(17)23(30)33/h3-12,25H,1-2H3,(H2,30,33).
What are the key properties of 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide?
4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide has a molecular weight of 501.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide is sourced from PubChem (CID 175848072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).