N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide

C12H6F4N4O — CID 79496969

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F4N4O/c13-9-2-1-6(3-8(9)12(14,15)16)11(21)19-10-7(4-17)5-18-20-10/h1-3,5H,(H2,18,19,20,21)
InChIKeyYEZDQRMOOMZVQI-UHFFFAOYSA-N
MW298.20 g/mol
LogP2.69
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide

N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79496969) has the molecular formula C12H6F4N4O and a molecular weight of 298.20 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79496969
Molecular FormulaC12H6F4N4O
Molecular Weight298.20 g/mol
Exact Mass298.05
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F4N4O/c13-9-2-1-6(3-8(9)12(14,15)16)11(21)19-10-7(4-17)5-18-20-10/h1-3,5H,(H2,18,19,20,21)
InChIKeyYEZDQRMOOMZVQI-UHFFFAOYSA-N
XLogP2.69
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 78913751
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 78913819
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide (CID 79496969) is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is YEZDQRMOOMZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N4O/c13-9-2-1-6(3-8(9)12(14,15)16)11(21)19-10-7(4-17)5-18-20-10/h1-3,5H,(H2,18,19,20,21).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 298.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79496969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).