N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide

C18H16FN3O — CID 9270477

IUPACN-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-10-11-21-22(13)17-8-4-15(5-9-17)18(23)20-12-14-2-6-16(19)7-3-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyNURHUQZLLQPEEY-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9270477) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9270477
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-10-11-21-22(13)17-8-4-15(5-9-17)18(23)20-12-14-2-6-16(19)7-3-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyNURHUQZLLQPEEY-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylpyrazol-1-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18209836
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
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N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
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N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291725
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
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N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
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4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908798
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 9270477) is N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is NURHUQZLLQPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-10-11-21-22(13)17-8-4-15(5-9-17)18(23)20-12-14-2-6-16(19)7-3-14/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9270477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).