3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide

C17H22N4O — CID 5392898

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)12(2)18-21-17(22)10-9-16-13(3)19-20-14(16)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)/b18-12-
InChIKeyBLYFYSZLHOPHGN-PDGQHHTCSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide (PubChem CID 5392898) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
PubChem CID5392898
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)12(2)18-21-17(22)10-9-16-13(3)19-20-14(16)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)/b18-12-
InChIKeyBLYFYSZLHOPHGN-PDGQHHTCSA-N
XLogP2.81
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 687821
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6981886
4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
CID 17437803
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]propanamide
CID 3356012
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]propanamide
CID 6252712
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 5392869
2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 5037282
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide (CID 5392898) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide is C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc(C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide?
The InChIKey is BLYFYSZLHOPHGN-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-5-7-15(8-6-11)12(2)18-21-17(22)10-9-16-13(3)19-20-14(16)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)/b18-12-.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 5392898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).