N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C15H20N4O — CID 119408817

IUPACN-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCCN)cc2)n1
InChIInChI=1S/C15H20N4O/c1-11-10-12(2)19(18-11)14-6-4-13(5-7-14)15(20)17-9-3-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyNHVKXRNJNUCSLE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds5

About N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 119408817) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID119408817
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCCN)cc2)n1
InChIInChI=1S/C15H20N4O/c1-11-10-12(2)19(18-11)14-6-4-13(5-7-14)15(20)17-9-3-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyNHVKXRNJNUCSLE-UHFFFAOYSA-N
XLogP1.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]benzamide
CID 167947657
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 119408817) is N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCCN)cc2)n1.
What is the InChIKey of N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is NHVKXRNJNUCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-10-12(2)19(18-11)14-6-4-13(5-7-14)15(20)17-9-3-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 119408817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).