N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide

C18H25N5O — CID 119392944

IUPACN-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCCCN1CCNCC1
InChIInChI=1S/C18H25N5O/c24-18(20-7-1-11-22-13-9-19-10-14-22)15-16-3-5-17(6-4-16)23-12-2-8-21-23/h2-6,8,12,19H,1,7,9-11,13-15H2,(H,20,24)
InChIKeyAHPZCDOTCLRDNS-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.83
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 119392944) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID119392944
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCCCN1CCNCC1
InChIInChI=1S/C18H25N5O/c24-18(20-7-1-11-22-13-9-19-10-14-22)15-16-3-5-17(6-4-16)23-12-2-8-21-23/h2-6,8,12,19H,1,7,9-11,13-15H2,(H,20,24)
InChIKeyAHPZCDOTCLRDNS-UHFFFAOYSA-N
XLogP0.83
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.83
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)-4-pyrazol-1-ylbenzamide
CID 119391850
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86990308

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 119392944) is N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccn2)cc1)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is AHPZCDOTCLRDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18(20-7-1-11-22-13-9-19-10-14-22)15-16-3-5-17(6-4-16)23-12-2-8-21-23/h2-6,8,12,19H,1,7,9-11,13-15H2,(H,20,24).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 0.83, 7 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)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 119392944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).