1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide

C17H22BrN5O — CID 119394563

IUPAC1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccn(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H22BrN5O/c18-14-3-1-4-15(13-14)23-10-5-16(21-23)17(24)20-6-2-9-22-11-7-19-8-12-22/h1,3-5,10,13,19H,2,6-9,11-12H2,(H,20,24)
InChIKeyBEDSTGXWSSFCDB-UHFFFAOYSA-N
MW392.30 g/mol
LogP1.66
Rot. Bonds6

About 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide

1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide (PubChem CID 119394563) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
PubChem CID119394563
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccn(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H22BrN5O/c18-14-3-1-4-15(13-14)23-10-5-16(21-23)17(24)20-6-2-9-22-11-7-19-8-12-22/h1,3-5,10,13,19H,2,6-9,11-12H2,(H,20,24)
InChIKeyBEDSTGXWSSFCDB-UHFFFAOYSA-N
XLogP1.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
[1-(3-bromophenyl)pyrazol-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119418755
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide (CID 119394563) is 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide is O=C(NCCCN1CCNCC1)c1ccn(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is BEDSTGXWSSFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c18-14-3-1-4-15(13-14)23-10-5-16(21-23)17(24)20-6-2-9-22-11-7-19-8-12-22/h1,3-5,10,13,19H,2,6-9,11-12H2,(H,20,24).
What are the key properties of 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide?
1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119394563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).