2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide

C18H15F2N3O — CID 53197846

IUPAC2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3cc(F)ccc3F)n[nH]c2C)c1
InChIInChI=1S/C18H15F2N3O/c1-10-4-3-5-12(8-10)16-11(2)22-23-17(16)21-18(24)14-9-13(19)6-7-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeySSUNHNZEGLZJLX-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.22
Rot. Bonds3

About 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide

2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 53197846) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID53197846
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3cc(F)ccc3F)n[nH]c2C)c1
InChIInChI=1S/C18H15F2N3O/c1-10-4-3-5-12(8-10)16-11(2)22-23-17(16)21-18(24)14-9-13(19)6-7-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24)
InChIKeySSUNHNZEGLZJLX-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
4-(3-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1H-pyrazol-3-amine
CID 114834548
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide (CID 53197846) is 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide is Cc1cccc(-c2c(NC(=O)c3cc(F)ccc3F)n[nH]c2C)c1.
What is the InChIKey of 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is SSUNHNZEGLZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-4-3-5-12(8-10)16-11(2)22-23-17(16)21-18(24)14-9-13(19)6-7-15(14)20/h3-9H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide?
2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53197846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).