N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide

C24H19ClFN3O — CID 46553209

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C24H19ClFN3O/c25-20-12-7-13-21(26)22(20)24(30)27-14-19-16-29(15-17-8-3-1-4-9-17)28-23(19)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,27,30)
InChIKeyQTRKJQPRZFERKQ-UHFFFAOYSA-N
MW419.89 g/mol
LogP5.32
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide (PubChem CID 46553209) has the molecular formula C24H19ClFN3O and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
PubChem CID46553209
Molecular FormulaC24H19ClFN3O
Molecular Weight419.89 g/mol
Exact Mass419.12
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C24H19ClFN3O/c25-20-12-7-13-21(26)22(20)24(30)27-14-19-16-29(15-17-8-3-1-4-9-17)28-23(19)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,27,30)
InChIKeyQTRKJQPRZFERKQ-UHFFFAOYSA-N
XLogP5.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-chloro-2-nitrobenzamide
CID 46508773
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide (CID 46553209) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
The InChIKey is QTRKJQPRZFERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O/c25-20-12-7-13-21(26)22(20)24(30)27-14-19-16-29(15-17-8-3-1-4-9-17)28-23(19)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,27,30).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide has a molecular weight of 419.89 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 46553209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).