5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide

C14H9BrClN5O — CID 72717793

IUPAC5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(-n2cccn2)ncn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-2-3-11(16)10(6-9)14(22)20-12-7-13(18-8-17-12)21-5-1-4-19-21/h1-8H,(H,17,18,20,22)
InChIKeyNWSCGMRQJCMCLF-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide

5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide (PubChem CID 72717793) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
PubChem CID72717793
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC Name5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cc(-n2cccn2)ncn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-2-3-11(16)10(6-9)14(22)20-12-7-13(18-8-17-12)21-5-1-4-19-21/h1-8H,(H,17,18,20,22)
InChIKeyNWSCGMRQJCMCLF-UHFFFAOYSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753152
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 90544740
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
(E)-3-(2-chlorophenyl)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 122290582
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
2-chloro-5-nitro-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide (CID 72717793) is 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cc(-n2cccn2)ncn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is NWSCGMRQJCMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-9-2-3-11(16)10(6-9)14(22)20-12-7-13(18-8-17-12)21-5-1-4-19-21/h1-8H,(H,17,18,20,22).
What are the key properties of 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide?
5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 378.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 72717793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).