3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide

C8H14N4O — CID 62834246

IUPAC3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
SMILESCCNCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-9-5-4-8(13)11-7-3-6-10-12-7/h3,6,9H,2,4-5H2,1H3,(H2,10,11,12,13)
InChIKeyNDRYESYQVYHQAA-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.35
Rot. Bonds5

About 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide

3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 62834246) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID62834246
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
SMILESCCNCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c1-2-9-5-4-8(13)11-7-3-6-10-12-7/h3,6,9H,2,4-5H2,1H3,(H2,10,11,12,13)
InChIKeyNDRYESYQVYHQAA-UHFFFAOYSA-N
XLogP0.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 61394138
3-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393399
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393731
3-oxo-N-(1H-pyrazol-5-yl)nonanamide
CID 10130928
3-(4-hydroxyphenyl)-N-(1H-pyrazol-5-yl)propanamide
CID 110483844
N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide
CID 61393596
3-(4-methoxyphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393499
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide (CID 62834246) is 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide is CCNCCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is NDRYESYQVYHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-9-5-4-8(13)11-7-3-6-10-12-7/h3,6,9H,2,4-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide?
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 62834246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).