4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide

C11H7BrN4O — CID 78913823

IUPAC4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H7BrN4O/c12-9-3-1-7(2-4-9)11(17)15-10-8(5-13)6-14-16-10/h1-4,6H,(H2,14,15,16,17)
InChIKeyFAPKPODVXYJPAX-UHFFFAOYSA-N
MW291.11 g/mol
LogP2.30
Rot. Bonds2

About 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide

4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 78913823) has the molecular formula C11H7BrN4O and a molecular weight of 291.11 g/mol. Its IUPAC name is 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID78913823
Molecular FormulaC11H7BrN4O
Molecular Weight291.11 g/mol
Exact Mass289.98
IUPAC Name4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H7BrN4O/c12-9-3-1-7(2-4-9)11(17)15-10-8(5-13)6-14-16-10/h1-4,6H,(H2,14,15,16,17)
InChIKeyFAPKPODVXYJPAX-UHFFFAOYSA-N
XLogP2.30
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
3-bromo-N-(4-cyano-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851534
4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 171984736
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 78913819
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 78913823) is 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is FAPKPODVXYJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O/c12-9-3-1-7(2-4-9)11(17)15-10-8(5-13)6-14-16-10/h1-4,6H,(H2,14,15,16,17).
What are the key properties of 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide has a molecular weight of 291.11 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 78913823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).