4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide

C11H6ClFN4O — CID 107987719

IUPAC4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H6ClFN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyWSDNOIJSSDXPSY-UHFFFAOYSA-N
MW264.65 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide

4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide (PubChem CID 107987719) has the molecular formula C11H6ClFN4O and a molecular weight of 264.65 g/mol. Its IUPAC name is 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
PubChem CID107987719
Molecular FormulaC11H6ClFN4O
Molecular Weight264.65 g/mol
Exact Mass264.02
IUPAC Name4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H6ClFN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyWSDNOIJSSDXPSY-UHFFFAOYSA-N
XLogP2.33
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
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
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
CID 79503483
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide (CID 107987719) is 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide?
The InChIKey is WSDNOIJSSDXPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18).
What are the key properties of 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide?
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide has a molecular weight of 264.65 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 107987719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).