N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H21BrN4O3 — CID 134061927

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C18H21BrN4O3/c1-11-16(12(2)22(3)21-11)17(24)18(25)20-14-10-13(19)4-5-15(14)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,20,25)
InChIKeyRBTJDCUOCNOYTF-UHFFFAOYSA-N
MW421.30 g/mol
LogP2.46
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 134061927) has the molecular formula C18H21BrN4O3 and a molecular weight of 421.30 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID134061927
Molecular FormulaC18H21BrN4O3
Molecular Weight421.30 g/mol
Exact Mass420.08
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C18H21BrN4O3/c1-11-16(12(2)22(3)21-11)17(24)18(25)20-14-10-13(19)4-5-15(14)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,20,25)
InChIKeyRBTJDCUOCNOYTF-UHFFFAOYSA-N
XLogP2.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(3-chloro-4-piperidin-1-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52692875
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
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CID 55756561
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030385
(E)-N-(5-bromo-2-morpholin-4-ylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55494282

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 134061927) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is RBTJDCUOCNOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O3/c1-11-16(12(2)22(3)21-11)17(24)18(25)20-14-10-13(19)4-5-15(14)23-6-8-26-9-7-23/h4-5,10H,6-9H2,1-3H3,(H,20,25).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 421.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134061927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).