4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide

C16H19BrN4O2 — CID 37394498

IUPAC4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCCn1cccn1
InChIInChI=1S/C16H19BrN4O2/c17-14-5-3-13(4-6-14)16(23)19-10-7-15(22)18-8-1-11-21-12-2-9-20-21/h2-6,9,12H,1,7-8,10-11H2,(H,18,22)(H,19,23)
InChIKeyYVDBUIBKQVJMQQ-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.97
Rot. Bonds8

About 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide

4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide (PubChem CID 37394498) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
PubChem CID37394498
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCCn1cccn1
InChIInChI=1S/C16H19BrN4O2/c17-14-5-3-13(4-6-14)16(23)19-10-7-15(22)18-8-1-11-21-12-2-9-20-21/h2-6,9,12H,1,7-8,10-11H2,(H,18,22)(H,19,23)
InChIKeyYVDBUIBKQVJMQQ-UHFFFAOYSA-N
XLogP1.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
4-bromo-N-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]benzamide
CID 55612876
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119408124
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide (CID 37394498) is 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCCCn1cccn1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide?
The InChIKey is YVDBUIBKQVJMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c17-14-5-3-13(4-6-14)16(23)19-10-7-15(22)18-8-1-11-21-12-2-9-20-21/h2-6,9,12H,1,7-8,10-11H2,(H,18,22)(H,19,23).
What are the key properties of 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide has a molecular weight of 379.26 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide is sourced from PubChem (CID 37394498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).