4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide

C19H18F2N4O — CID 46998774

IUPAC4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
SMILESO=C(NCCNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c20-16-5-1-13(2-6-16)18-15(12-24-25-18)11-22-9-10-23-19(26)14-3-7-17(21)8-4-14/h1-8,12,22H,9-11H2,(H,23,26)(H,24,25)
InChIKeyVMGAGPKUNQMVDW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.87
Rot. Bonds7

About 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide

4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide (PubChem CID 46998774) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
PubChem CID46998774
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
SMILESO=C(NCCNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c20-16-5-1-13(2-6-16)18-15(12-24-25-18)11-22-9-10-23-19(26)14-3-7-17(21)8-4-14/h1-8,12,22H,9-11H2,(H,23,26)(H,24,25)
InChIKeyVMGAGPKUNQMVDW-UHFFFAOYSA-N
XLogP2.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-propoxyethanamine
CID 46983886
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylbutan-1-amine
CID 46990222
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467905
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide (CID 46998774) is 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide is O=C(NCCNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide?
The InChIKey is VMGAGPKUNQMVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-16-5-1-13(2-6-16)18-15(12-24-25-18)11-22-9-10-23-19(26)14-3-7-17(21)8-4-14/h1-8,12,22H,9-11H2,(H,23,26)(H,24,25).
What are the key properties of 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide?
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide is sourced from PubChem (CID 46998774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).