2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

C17H21BrN4O2 — CID 19537582

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1cc(Br)cn1
InChIInChI=1S/C17H21BrN4O2/c1-13(22-12-15(18)10-19-22)17(23)20-16-4-2-3-14(9-16)11-21-5-7-24-8-6-21/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,23)
InChIKeyFVJQHHWSWJERPM-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 19537582) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID19537582
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1cc(Br)cn1
InChIInChI=1S/C17H21BrN4O2/c1-13(22-12-15(18)10-19-22)17(23)20-16-4-2-3-14(9-16)11-21-5-7-24-8-6-21/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,23)
InChIKeyFVJQHHWSWJERPM-UHFFFAOYSA-N
XLogP2.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489694
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19535765
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537656
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 60585839
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036296
2-(4-bromopyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19405897
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
2-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19551491
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 998824
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (CID 19537582) is 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(CN2CCOCC2)c1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is FVJQHHWSWJERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-13(22-12-15(18)10-19-22)17(23)20-16-4-2-3-14(9-16)11-21-5-7-24-8-6-21/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,23).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 393.29 g/mol, XLogP of 2.68, 5 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-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19537582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).