N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide

C19H27N5O — CID 86823053

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-2-22-13-15-23(16-14-22)11-5-9-20-19(25)17-7-3-4-8-18(17)24-12-6-10-21-24/h3-4,6-8,10,12H,2,5,9,11,13-16H2,1H3,(H,20,25)
InChIKeyDMEKCNQKINQOKN-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide (PubChem CID 86823053) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
PubChem CID86823053
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
SMILESCCN1CCN(CCCNC(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H27N5O/c1-2-22-13-15-23(16-14-22)11-5-9-20-19(25)17-7-3-4-8-18(17)24-12-6-10-21-24/h3-4,6-8,10,12H,2,5,9,11,13-16H2,1H3,(H,20,25)
InChIKeyDMEKCNQKINQOKN-UHFFFAOYSA-N
XLogP1.63
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.63
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-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-pyrazol-1-ylbenzamide
CID 86828734
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60553495
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3,4-dichloro-N-[2-[(2-pyrazol-1-ylbenzoyl)amino]ethyl]benzamide
CID 78888408
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide (CID 86823053) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide is CCN1CCN(CCCNC(=O)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is DMEKCNQKINQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-22-13-15-23(16-14-22)11-5-9-20-19(25)17-7-3-4-8-18(17)24-12-6-10-21-24/h3-4,6-8,10,12H,2,5,9,11,13-16H2,1H3,(H,20,25).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 341.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86823053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).