N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

C23H24FN5O — CID 56539527

IUPACN-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H24FN5O/c1-16(23(30)26-20-6-3-5-17(13-20)15-25)29(2)12-4-7-21-14-22(28-27-21)18-8-10-19(24)11-9-18/h3,5-6,8-11,13-14,16H,4,7,12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyNQBPOMRYTZIPEY-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.98
Rot. Bonds8

About N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (PubChem CID 56539527) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
PubChem CID56539527
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H24FN5O/c1-16(23(30)26-20-6-3-5-17(13-20)15-25)29(2)12-4-7-21-14-22(28-27-21)18-8-10-19(24)11-9-18/h3,5-6,8-11,13-14,16H,4,7,12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyNQBPOMRYTZIPEY-UHFFFAOYSA-N
XLogP3.98
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791469
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962
(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
CID 95902916

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (CID 56539527) is N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is CC(C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is NQBPOMRYTZIPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16(23(30)26-20-6-3-5-17(13-20)15-25)29(2)12-4-7-21-14-22(28-27-21)18-8-10-19(24)11-9-18/h3,5-6,8-11,13-14,16H,4,7,12H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 405.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 56539527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).