4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide

C15H15BrN6O3 — CID 4770573

IUPAC4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C15H15BrN6O3/c1-21-14(9(16)8-17-21)15(23)18-10-2-3-11(13-12(10)19-25-20-13)22-4-6-24-7-5-22/h2-3,8H,4-7H2,1H3,(H,18,23)
InChIKeyZBGJDJLOBUBZEA-UHFFFAOYSA-N
MW407.23 g/mol
LogP1.81
Rot. Bonds3

About 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide (PubChem CID 4770573) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
PubChem CID4770573
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC Name4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12
InChIInChI=1S/C15H15BrN6O3/c1-21-14(9(16)8-17-21)15(23)18-10-2-3-11(13-12(10)19-25-20-13)22-4-6-24-7-5-22/h2-3,8H,4-7H2,1H3,(H,18,23)
InChIKeyZBGJDJLOBUBZEA-UHFFFAOYSA-N
XLogP1.81
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
(2S)-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-2-phenylbutanamide
CID 27519968
(1R,2S,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124722411
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
(1S,2R,3S,4R)-3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706351
1-cyclopropyl-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)thiourea
CID 17380861
3-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 17378972

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide (CID 4770573) is 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12.
What is the InChIKey of 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide?
The InChIKey is ZBGJDJLOBUBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c1-21-14(9(16)8-17-21)15(23)18-10-2-3-11(13-12(10)19-25-20-13)22-4-6-24-7-5-22/h2-3,8H,4-7H2,1H3,(H,18,23).
What are the key properties of 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4770573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).