N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide

C14H21N7O2 — CID 112530013

IUPACN-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)n2nc(C)c(CCN)c2C)nn1
InChIInChI=1S/C14H21N7O2/c1-4-13(22)16-12-7-20(19-17-12)8-14(23)21-10(3)11(5-6-15)9(2)18-21/h7H,4-6,8,15H2,1-3H3,(H,16,22)
InChIKeyIAQORMYLGCGPAV-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.28
Rot. Bonds6

About N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112530013) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112530013
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC NameN-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)n2nc(C)c(CCN)c2C)nn1
InChIInChI=1S/C14H21N7O2/c1-4-13(22)16-12-7-20(19-17-12)8-14(23)21-10(3)11(5-6-15)9(2)18-21/h7H,4-6,8,15H2,1-3H3,(H,16,22)
InChIKeyIAQORMYLGCGPAV-UHFFFAOYSA-N
XLogP0.28
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
methyl N-[2-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529995
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
N-[1-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112530014
N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112529878
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530725
N-[1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]propanamide
CID 112531894
methyl N-[1-[2-(5-aminopyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524664
methyl N-[1-[2-(4-amino-3-methylpyrazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525149
ethyl N-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527924

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide (CID 112530013) is N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)n2nc(C)c(CCN)c2C)nn1.
What is the InChIKey of N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is IAQORMYLGCGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-4-13(22)16-12-7-20(19-17-12)8-14(23)21-10(3)11(5-6-15)9(2)18-21/h7H,4-6,8,15H2,1-3H3,(H,16,22).
What are the key properties of N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 319.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112530013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).