3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide

C21H15BrN4O2 — CID 101494298

IUPAC3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide
SMILESNC(=O)c1cccc(Oc2cnn(-c3ccccn3)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C21H15BrN4O2/c22-16-9-7-14(8-10-16)20-18(13-25-26(20)19-6-1-2-11-24-19)28-17-5-3-4-15(12-17)21(23)27/h1-13H,(H2,23,27)
InChIKeyYUUCRCVZUBHRBS-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.59
Rot. Bonds5

About 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide

3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide (PubChem CID 101494298) has the molecular formula C21H15BrN4O2 and a molecular weight of 435.28 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide
PubChem CID101494298
Molecular FormulaC21H15BrN4O2
Molecular Weight435.28 g/mol
Exact Mass434.04
IUPAC Name3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide
SMILESNC(=O)c1cccc(Oc2cnn(-c3ccccn3)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C21H15BrN4O2/c22-16-9-7-14(8-10-16)20-18(13-25-26(20)19-6-1-2-11-24-19)28-17-5-3-4-15(12-17)21(23)27/h1-13H,(H2,23,27)
InChIKeyYUUCRCVZUBHRBS-UHFFFAOYSA-N
XLogP4.59
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide
CID 114837598
3-(8-aminoquinolin-5-yl)oxybenzamide
CID 43449647
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
CID 56930184
3-(pyrazol-1-ylmethoxy)benzamide
CID 59403018
3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
CID 59588847
2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
CID 138593461
(3-carbamoylphenyl) 1-phenylpyrazole-4-carboxylate
CID 86998341
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide?
The IUPAC name of 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide (CID 101494298) is 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide.
What is the SMILES notation for 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide?
The canonical SMILES for 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide is NC(=O)c1cccc(Oc2cnn(-c3ccccn3)c2-c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide?
The InChIKey is YUUCRCVZUBHRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O2/c22-16-9-7-14(8-10-16)20-18(13-25-26(20)19-6-1-2-11-24-19)28-17-5-3-4-15(12-17)21(23)27/h1-13H,(H2,23,27).
What are the key properties of 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide?
3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide has a molecular weight of 435.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-1-pyridin-2-ylpyrazol-4-yl]oxybenzamide is sourced from PubChem (CID 101494298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).