7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride

C13H25ClN4O — CID 119709906

IUPAC7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C13H24N4O.ClH/c14-8-4-2-1-3-7-13(18)15-9-5-11-17-12-6-10-16-17;/h6,10,12H,1-5,7-9,11,14H2,(H,15,18);1H
InChIKeySQELVXMKWBEBGH-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.72
Rot. Bonds10

About 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride

7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride (PubChem CID 119709906) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
PubChem CID119709906
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C13H24N4O.ClH/c14-8-4-2-1-3-7-13(18)15-9-5-11-17-12-6-10-16-17;/h6,10,12H,1-5,7-9,11,14H2,(H,15,18);1H
InChIKeySQELVXMKWBEBGH-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.72
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

4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
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
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride (CID 119709906) is 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCCCn1cccn1.
What is the InChIKey of 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride?
The InChIKey is SQELVXMKWBEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c14-8-4-2-1-3-7-13(18)15-9-5-11-17-12-6-10-16-17;/h6,10,12H,1-5,7-9,11,14H2,(H,15,18);1H.
What are the key properties of 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride?
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride is sourced from PubChem (CID 119709906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).