N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide

C16H12BrClN4O — CID 71911669

IUPACN-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)Nc1cncc(Br)c1Cl
InChIInChI=1S/C16H12BrClN4O/c17-13-9-19-10-14(16(13)18)21-15(23)8-11-2-4-12(5-3-11)22-7-1-6-20-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyCLNMICJYARKJRZ-UHFFFAOYSA-N
MW391.66 g/mol
LogP3.86
Rot. Bonds4

About N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 71911669) has the molecular formula C16H12BrClN4O and a molecular weight of 391.66 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID71911669
Molecular FormulaC16H12BrClN4O
Molecular Weight391.66 g/mol
Exact Mass389.99
IUPAC NameN-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)Nc1cncc(Br)c1Cl
InChIInChI=1S/C16H12BrClN4O/c17-13-9-19-10-14(16(13)18)21-15(23)8-11-2-4-12(5-3-11)22-7-1-6-20-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyCLNMICJYARKJRZ-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
2-(4-pyrazol-1-ylphenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833206
4-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-amine
CID 83167286
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 146110134
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
N-(9H-fluoren-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472205
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 71911669) is N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccn2)cc1)Nc1cncc(Br)c1Cl.
What is the InChIKey of N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is CLNMICJYARKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O/c17-13-9-19-10-14(16(13)18)21-15(23)8-11-2-4-12(5-3-11)22-7-1-6-20-22/h1-7,9-10H,8H2,(H,21,23).
What are the key properties of N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 391.66 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-3-pyridinyl)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 71911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).