N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide

C23H27N5O — CID 33134748

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H27N5O/c29-23(20-8-10-22(11-9-20)28-15-5-13-25-28)24-12-4-14-26-16-18-27(19-17-26)21-6-2-1-3-7-21/h1-3,5-11,13,15H,4,12,14,16-19H2,(H,24,29)
InChIKeyCPBPBFLABXJPHG-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.81
Rot. Bonds7

About N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide

N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide (PubChem CID 33134748) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
PubChem CID33134748
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H27N5O/c29-23(20-8-10-22(11-9-20)28-15-5-13-25-28)24-12-4-14-26-16-18-27(19-17-26)21-6-2-1-3-7-21/h1-3,5-11,13,15H,4,12,14,16-19H2,(H,24,29)
InChIKeyCPBPBFLABXJPHG-UHFFFAOYSA-N
XLogP2.81
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
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
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide (CID 33134748) is N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is CPBPBFLABXJPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(20-8-10-22(11-9-20)28-15-5-13-25-28)24-12-4-14-26-16-18-27(19-17-26)21-6-2-1-3-7-21/h1-3,5-11,13,15H,4,12,14,16-19H2,(H,24,29).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide?
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 33134748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).