N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide

C17H23N5O — CID 119391850

IUPACN-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N5O/c23-17(19-7-1-11-21-13-9-18-10-14-21)15-3-5-16(6-4-15)22-12-2-8-20-22/h2-6,8,12,18H,1,7,9-11,13-14H2,(H,19,23)
InChIKeyRQDRIFYCOSNMFJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.90
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide

N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide (PubChem CID 119391850) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
PubChem CID119391850
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N5O/c23-17(19-7-1-11-21-13-9-18-10-14-21)15-3-5-16(6-4-15)22-12-2-8-20-22/h2-6,8,12,18H,1,7,9-11,13-14H2,(H,19,23)
InChIKeyRQDRIFYCOSNMFJ-UHFFFAOYSA-N
XLogP0.90
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide (CID 119391850) is N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide is O=C(NCCCN1CCNCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is RQDRIFYCOSNMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(19-7-1-11-21-13-9-18-10-14-21)15-3-5-16(6-4-15)22-12-2-8-20-22/h2-6,8,12,18H,1,7,9-11,13-14H2,(H,19,23).
What are the key properties of N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide?
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 119391850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).