N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide

C13H24N4O — CID 54951591

IUPACN-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCn1cccn1
InChIInChI=1S/C13H24N4O/c1-3-4-5-7-15-13(18)12(2)14-9-11-17-10-6-8-16-17/h6,8,10,12,14H,3-5,7,9,11H2,1-2H3,(H,15,18)
InChIKeyLZZODHIDYRVRFY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds9

About N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide

N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide (PubChem CID 54951591) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
PubChem CID54951591
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCn1cccn1
InChIInChI=1S/C13H24N4O/c1-3-4-5-7-15-13(18)12(2)14-9-11-17-10-6-8-16-17/h6,8,10,12,14H,3-5,7,9,11H2,1-2H3,(H,15,18)
InChIKeyLZZODHIDYRVRFY-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
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-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
1-pentylpyrazole;propane
CID 156859541
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide?
The IUPAC name of N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide (CID 54951591) is N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide?
The canonical SMILES for N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide is CCCCCNC(=O)C(C)NCCn1cccn1.
What is the InChIKey of N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide?
The InChIKey is LZZODHIDYRVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-7-15-13(18)12(2)14-9-11-17-10-6-8-16-17/h6,8,10,12,14H,3-5,7,9,11H2,1-2H3,(H,15,18).
What are the key properties of N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide?
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide is sourced from PubChem (CID 54951591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).