3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide

C18H13BrN6O — CID 46554089

IUPAC3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C18H13BrN6O/c19-13-4-2-12(3-5-13)15-10-16(24-23-15)18(26)22-14-6-7-17(20-11-14)25-9-1-8-21-25/h1-11H,(H,22,26)(H,23,24)
InChIKeyOFDUEOMRIFMSJE-UHFFFAOYSA-N
MW409.25 g/mol
LogP3.67
Rot. Bonds4

About 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 46554089) has the molecular formula C18H13BrN6O and a molecular weight of 409.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID46554089
Molecular FormulaC18H13BrN6O
Molecular Weight409.25 g/mol
Exact Mass408.03
IUPAC Name3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C18H13BrN6O/c19-13-4-2-12(3-5-13)15-10-16(24-23-15)18(26)22-14-6-7-17(20-11-14)25-9-1-8-21-25/h1-11H,(H,22,26)(H,23,24)
InChIKeyOFDUEOMRIFMSJE-UHFFFAOYSA-N
XLogP3.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 78948608
2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
CID 55560796
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 49159097
3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115003623
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47027158

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 46554089) is 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OFDUEOMRIFMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN6O/c19-13-4-2-12(3-5-13)15-10-16(24-23-15)18(26)22-14-6-7-17(20-11-14)25-9-1-8-21-25/h1-11H,(H,22,26)(H,23,24).
What are the key properties of 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 409.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46554089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).