2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide

C19H17ClFN3O — CID 55377398

IUPAC2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H17ClFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-5-4-14(21)10-17(16)20/h4-10H,1-3H3,(H,22,25)
InChIKeyBRYNENZNFOREIX-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.84
Rot. Bonds3

About 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide

2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide (PubChem CID 55377398) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
PubChem CID55377398
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H17ClFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-5-4-14(21)10-17(16)20/h4-10H,1-3H3,(H,22,25)
InChIKeyBRYNENZNFOREIX-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 55481146
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
CID 55520394
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
2-chloro-4-fluoro-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 75119337
2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide (CID 55377398) is 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is BRYNENZNFOREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-5-4-14(21)10-17(16)20/h4-10H,1-3H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide?
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 357.82 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 55377398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).