3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C11H9BrClN3O — CID 103990810

IUPAC3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H9BrClN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyJFRDAPZZKLCOLS-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.39
Rot. Bonds2

About 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 103990810) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID103990810
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H9BrClN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyJFRDAPZZKLCOLS-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113236904
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 104619425
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 103975385
N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115630183
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107602580
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 103990810) is 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is JFRDAPZZKLCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 314.57 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 103990810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).