N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide

C20H20FN3O2 — CID 55520394

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1
InChIInChI=1S/C20H20FN3O2/c1-12-7-13(2)9-16(8-12)24-19(10-14(3)23-24)22-20(25)17-11-15(21)5-6-18(17)26-4/h5-11H,1-4H3,(H,22,25)
InChIKeyJSJOMPZKSXSOMP-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.20
Rot. Bonds4

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide (PubChem CID 55520394) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
PubChem CID55520394
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1
InChIInChI=1S/C20H20FN3O2/c1-12-7-13(2)9-16(8-12)24-19(10-14(3)23-24)22-20(25)17-11-15(21)5-6-18(17)26-4/h5-11H,1-4H3,(H,22,25)
InChIKeyJSJOMPZKSXSOMP-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide (CID 55520394) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide?
The InChIKey is JSJOMPZKSXSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-7-13(2)9-16(8-12)24-19(10-14(3)23-24)22-20(25)17-11-15(21)5-6-18(17)26-4/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide has a molecular weight of 353.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 55520394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).