2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide

C13H21BrN4O2 — CID 19551491

IUPAC2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C13H21BrN4O2/c1-2-12(18-10-11(14)9-16-18)13(19)15-3-4-17-5-7-20-8-6-17/h9-10,12H,2-8H2,1H3,(H,15,19)
InChIKeyMEHXPMRQYKELJU-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.05
Rot. Bonds6

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

2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 19551491) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID19551491
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C13H21BrN4O2/c1-2-12(18-10-11(14)9-16-18)13(19)15-3-4-17-5-7-20-8-6-17/h9-10,12H,2-8H2,1H3,(H,15,19)
InChIKeyMEHXPMRQYKELJU-UHFFFAOYSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 19549775
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 19561890
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19549663
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide (CID 19551491) is 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide is CCC(C(=O)NCCN1CCOCC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is MEHXPMRQYKELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-2-12(18-10-11(14)9-16-18)13(19)15-3-4-17-5-7-20-8-6-17/h9-10,12H,2-8H2,1H3,(H,15,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide?
2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 345.24 g/mol, XLogP of 1.05, 6 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-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 19551491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).