4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

C15H16BrN3O2 — CID 90597657

IUPAC4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-11(2-4-12)15(20)18-13-9-17-19(10-13)14-5-7-21-8-6-14/h1-4,9-10,14H,5-8H2,(H,18,20)
InChIKeyFKKAECXIFHTJOC-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.25
Rot. Bonds3

About 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide

4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (PubChem CID 90597657) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
PubChem CID90597657
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-11(2-4-12)15(20)18-13-9-17-19(10-13)14-5-7-21-8-6-14/h1-4,9-10,14H,5-8H2,(H,18,20)
InChIKeyFKKAECXIFHTJOC-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide (CID 90597657) is 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is FKKAECXIFHTJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-3-1-11(2-4-12)15(20)18-13-9-17-19(10-13)14-5-7-21-8-6-14/h1-4,9-10,14H,5-8H2,(H,18,20).
What are the key properties of 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide?
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 350.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 90597657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).