3-(2-pyrazol-1-ylethylamino)propanamide

C8H14N4O — CID 61463114

IUPAC3-(2-pyrazol-1-ylethylamino)propanamide
SMILESNC(=O)CCNCCn1cccn1
InChIInChI=1S/C8H14N4O/c9-8(13)2-4-10-5-7-12-6-1-3-11-12/h1,3,6,10H,2,4-5,7H2,(H2,9,13)
InChIKeyHSEXIZLXGQIEPX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.65
Rot. Bonds6

About 3-(2-pyrazol-1-ylethylamino)propanamide

3-(2-pyrazol-1-ylethylamino)propanamide (PubChem CID 61463114) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethylamino)propanamide.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethylamino)propanamide
PubChem CID61463114
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(2-pyrazol-1-ylethylamino)propanamide
SMILESNC(=O)CCNCCn1cccn1
InChIInChI=1S/C8H14N4O/c9-8(13)2-4-10-5-7-12-6-1-3-11-12/h1,3,6,10H,2,4-5,7H2,(H2,9,13)
InChIKeyHSEXIZLXGQIEPX-UHFFFAOYSA-N
XLogP-0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.65
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-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
1-[2-(3-pyrazol-1-ylpropylamino)ethyl]triazole-4-carboxylic acid
CID 103263440
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
5-chloro-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107319937

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethylamino)propanamide?
The IUPAC name of 3-(2-pyrazol-1-ylethylamino)propanamide (CID 61463114) is 3-(2-pyrazol-1-ylethylamino)propanamide.
What is the SMILES notation for 3-(2-pyrazol-1-ylethylamino)propanamide?
The canonical SMILES for 3-(2-pyrazol-1-ylethylamino)propanamide is NC(=O)CCNCCn1cccn1.
What is the InChIKey of 3-(2-pyrazol-1-ylethylamino)propanamide?
The InChIKey is HSEXIZLXGQIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-8(13)2-4-10-5-7-12-6-1-3-11-12/h1,3,6,10H,2,4-5,7H2,(H2,9,13).
What are the key properties of 3-(2-pyrazol-1-ylethylamino)propanamide?
3-(2-pyrazol-1-ylethylamino)propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethylamino)propanamide is sourced from PubChem (CID 61463114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).