N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide

C12H22N4O — CID 113223084

IUPACN-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
SMILESCCCNC(=O)C(C)NCCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-3-6-14-12(17)11(2)13-7-4-9-16-10-5-8-15-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,14,17)
InChIKeyAYBBZMFYZROPGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds8

About N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide

N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide (PubChem CID 113223084) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide.

Molecular Properties

Compound NameN-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
PubChem CID113223084
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
SMILESCCCNC(=O)C(C)NCCCn1cccn1
InChIInChI=1S/C12H22N4O/c1-3-6-14-12(17)11(2)13-7-4-9-16-10-5-8-15-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,14,17)
InChIKeyAYBBZMFYZROPGA-UHFFFAOYSA-N
XLogP0.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propyl-2-(3-pyrazol-1-ylpropylamino)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-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708660
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
2-(propylamino)-4-pyrazol-1-ylbutanamide
CID 63039561
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
CID 115708657
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
CID 37394425
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide?
The IUPAC name of N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide (CID 113223084) is N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide.
What is the SMILES notation for N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide?
The canonical SMILES for N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide is CCCNC(=O)C(C)NCCCn1cccn1.
What is the InChIKey of N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide?
The InChIKey is AYBBZMFYZROPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-6-14-12(17)11(2)13-7-4-9-16-10-5-8-15-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide?
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide is sourced from PubChem (CID 113223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).