2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide

C20H19F2N3O2 — CID 55377247

IUPAC2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C20H19F2N3O2/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)24-25)23-19(26)16-6-4-5-7-17(16)27-20(21)22/h4-11,20H,1-3H3,(H,23,26)
InChIKeySXLTVOHDUAJEOG-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.65
Rot. Bonds5

About 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide

2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 55377247) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID55377247
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C20H19F2N3O2/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)24-25)23-19(26)16-6-4-5-7-17(16)27-20(21)22/h4-11,20H,1-3H3,(H,23,26)
InChIKeySXLTVOHDUAJEOG-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
CID 55520394
2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 55481146
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75514166
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
2-ethoxy-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520199

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide (CID 55377247) is 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is SXLTVOHDUAJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-8-13(2)10-15(9-12)25-18(11-14(3)24-25)23-19(26)16-6-4-5-7-17(16)27-20(21)22/h4-11,20H,1-3H3,(H,23,26).
What are the key properties of 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 55377247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).