4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C17H21BrN4O2 — CID 35993710

IUPAC4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN4O2/c18-15-12-20-22(13-15)16-4-2-14(3-5-16)17(23)19-6-1-7-21-8-10-24-11-9-21/h2-5,12-13H,1,6-11H2,(H,19,23)
InChIKeyQKMPHFCNVKZRTQ-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.09
Rot. Bonds6

About 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 35993710) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID35993710
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN4O2/c18-15-12-20-22(13-15)16-4-2-14(3-5-16)17(23)19-6-1-7-21-8-10-24-11-9-21/h2-5,12-13H,1,6-11H2,(H,19,23)
InChIKeyQKMPHFCNVKZRTQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.09
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

4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 35993710) is 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is QKMPHFCNVKZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c18-15-12-20-22(13-15)16-4-2-14(3-5-16)17(23)19-6-1-7-21-8-10-24-11-9-21/h2-5,12-13H,1,6-11H2,(H,19,23).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 393.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 35993710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).