2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide

C14H23BrN4O2 — CID 19549775

IUPAC2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(C(=O)NCCCN1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C14H23BrN4O2/c1-2-13(19-11-12(15)10-17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,13H,2-9H2,1H3,(H,16,20)
InChIKeyUSGCDNPTPKEVFJ-UHFFFAOYSA-N
MW359.27 g/mol
LogP1.44
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide

2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 19549775) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID19549775
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(C(=O)NCCCN1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C14H23BrN4O2/c1-2-13(19-11-12(15)10-17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,13H,2-9H2,1H3,(H,16,20)
InChIKeyUSGCDNPTPKEVFJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 51.44
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

2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 19561890
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide (CID 19549775) is 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide is CCC(C(=O)NCCCN1CCOCC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is USGCDNPTPKEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-2-13(19-11-12(15)10-17-19)14(20)16-4-3-5-18-6-8-21-9-7-18/h10-11,13H,2-9H2,1H3,(H,16,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 359.27 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 19549775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).