4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride

C10H19ClN4O — CID 119281865

IUPAC4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C10H18N4O.ClH/c11-5-1-4-10(15)12-6-2-8-14-9-3-7-13-14;/h3,7,9H,1-2,4-6,8,11H2,(H,12,15);1H
InChIKeyNZFQNUJJIFWPTI-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.55
Rot. Bonds7

About 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride

4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119281865) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
PubChem CID119281865
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C10H18N4O.ClH/c11-5-1-4-10(15)12-6-2-8-14-9-3-7-13-14;/h3,7,9H,1-2,4-6,8,11H2,(H,12,15);1H
InChIKeyNZFQNUJJIFWPTI-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.55
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

7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride (CID 119281865) is 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride is Cl.NCCCC(=O)NCCCn1cccn1.
What is the InChIKey of 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is NZFQNUJJIFWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c11-5-1-4-10(15)12-6-2-8-14-9-3-7-13-14;/h3,7,9H,1-2,4-6,8,11H2,(H,12,15);1H.
What are the key properties of 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119281865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).