3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide

C18H16FN3O — CID 19284554

IUPAC3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-5-7-14(8-6-13)12-22-10-9-17(21-22)20-18(23)15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyPJRCBBPOEBQGAY-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.63
Rot. Bonds4

About 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide

3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19284554) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19284554
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-5-7-14(8-6-13)12-22-10-9-17(21-22)20-18(23)15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyPJRCBBPOEBQGAY-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19284554) is 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccc(Cn2ccc(NC(=O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is PJRCBBPOEBQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-5-7-14(8-6-13)12-22-10-9-17(21-22)20-18(23)15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide?
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19284554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).