N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C21H21BrN4O2 — CID 55756561

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C21H21BrN4O2/c1-15-13-19(24-26(15)17-5-3-2-4-6-17)21(27)23-18-14-16(22)7-8-20(18)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyWMHURRIGQFCKPZ-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.03
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55756561) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55756561
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C21H21BrN4O2/c1-15-13-19(24-26(15)17-5-3-2-4-6-17)21(27)23-18-14-16(22)7-8-20(18)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChIKeyWMHURRIGQFCKPZ-UHFFFAOYSA-N
XLogP4.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
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)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819500
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
1-N-(5-bromo-2-morpholin-4-ylphenyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167967581
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061927
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55756561) is N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)nn1-c1ccccc1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is WMHURRIGQFCKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-15-13-19(24-26(15)17-5-3-2-4-6-17)21(27)23-18-14-16(22)7-8-20(18)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,23,27).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55756561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).