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

C16H21N5O — CID 687821

IUPACN-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCC(=NNC(=O)CCc1c(C)n[nH]c1C)c1ccc(N)cc1
InChIInChI=1S/C16H21N5O/c1-10(13-4-6-14(17)7-5-13)18-21-16(22)9-8-15-11(2)19-20-12(15)3/h4-7H,8-9,17H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKNAGRWPLKVPAER-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.08
Rot. Bonds5

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

N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 687821) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID687821
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCC(=NNC(=O)CCc1c(C)n[nH]c1C)c1ccc(N)cc1
InChIInChI=1S/C16H21N5O/c1-10(13-4-6-14(17)7-5-13)18-21-16(22)9-8-15-11(2)19-20-12(15)3/h4-7H,8-9,17H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKNAGRWPLKVPAER-UHFFFAOYSA-N
XLogP2.08
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
CID 5392898
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6981886
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]propanamide
CID 98050911
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'-(1-phenylethenyl)propanehydrazide
CID 5054888
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[1-(4-aminophenyl)ethylideneamino]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 4829581
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N-[(E)-(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 135850183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 687821) is N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is CC(=NNC(=O)CCc1c(C)n[nH]c1C)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is KNAGRWPLKVPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10(13-4-6-14(17)7-5-13)18-21-16(22)9-8-15-11(2)19-20-12(15)3/h4-7H,8-9,17H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 299.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 687821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).