2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide

C11H6Cl2N4O — CID 79503936

IUPAC2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4O/c12-7-1-2-8(9(13)3-7)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyIDANBBLVUBHDQS-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.84
Rot. Bonds2

About 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide

2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 79503936) has the molecular formula C11H6Cl2N4O and a molecular weight of 281.10 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID79503936
Molecular FormulaC11H6Cl2N4O
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4O/c12-7-1-2-8(9(13)3-7)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyIDANBBLVUBHDQS-UHFFFAOYSA-N
XLogP2.84
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79504510
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
N-(4-cyano-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79504211
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 79503936) is 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is IDANBBLVUBHDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O/c12-7-1-2-8(9(13)3-7)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18).
What are the key properties of 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide has a molecular weight of 281.10 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 79503936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).