N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride

C14H20Cl2N4O — CID 119422814

IUPACN-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccccc2N)n1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-9-8-10(2)18(17-9)11(3)14(19)16-13-7-5-4-6-12(13)15;;/h4-8,11H,15H2,1-3H3,(H,16,19);2*1H
InChIKeyQHVMLERNLOGUFS-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.13
Rot. Bonds3

About N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride

N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride (PubChem CID 119422814) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
PubChem CID119422814
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccccc2N)n1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-9-8-10(2)18(17-9)11(3)14(19)16-13-7-5-4-6-12(13)15;;/h4-8,11H,15H2,1-3H3,(H,16,19);2*1H
InChIKeyQHVMLERNLOGUFS-UHFFFAOYSA-N
XLogP3.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
CID 75391584
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
CID 56784776
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 55162890

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride (CID 119422814) is N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride is Cc1cc(C)n(C(C)C(=O)Nc2ccccc2N)n1.Cl.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride?
The InChIKey is QHVMLERNLOGUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-9-8-10(2)18(17-9)11(3)14(19)16-13-7-5-4-6-12(13)15;;/h4-8,11H,15H2,1-3H3,(H,16,19);2*1H.
What are the key properties of N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride?
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).