4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C21H16BrN5O — CID 171691778

IUPAC4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nn(-c2ccccn2)c(-c2ccccc2)c1Br
InChIInChI=1S/C21H16BrN5O/c22-18-19(21(28)25-14-15-7-6-11-23-13-15)26-27(17-10-4-5-12-24-17)20(18)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,28)
InChIKeyZRBCBAURPNEWJV-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.02
Rot. Bonds5

About 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 171691778) has the molecular formula C21H16BrN5O and a molecular weight of 434.30 g/mol. Its IUPAC name is 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID171691778
Molecular FormulaC21H16BrN5O
Molecular Weight434.30 g/mol
Exact Mass433.05
IUPAC Name4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nn(-c2ccccn2)c(-c2ccccc2)c1Br
InChIInChI=1S/C21H16BrN5O/c22-18-19(21(28)25-14-15-7-6-11-23-13-15)26-27(17-10-4-5-12-24-17)20(18)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,28)
InChIKeyZRBCBAURPNEWJV-UHFFFAOYSA-N
XLogP4.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
4-(2-phenylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20916096
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 171691778) is 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is O=C(NCc1cccnc1)c1nn(-c2ccccn2)c(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ZRBCBAURPNEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O/c22-18-19(21(28)25-14-15-7-6-11-23-13-15)26-27(17-10-4-5-12-24-17)20(18)16-8-2-1-3-9-16/h1-13H,14H2,(H,25,28).
What are the key properties of 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-phenyl-1-pyridin-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 171691778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).