N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C13H9F3N4O — CID 115672352

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F3N4O/c1-20-7-9(6-17)11(19-20)18-12(21)8-2-4-10(5-3-8)13(14,15)16/h2-5,7H,1H3,(H,18,19,21)
InChIKeyMOZBQVBSAHFRJX-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.56
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 115672352) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID115672352
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F3N4O/c1-20-7-9(6-17)11(19-20)18-12(21)8-2-4-10(5-3-8)13(14,15)16/h2-5,7H,1H3,(H,18,19,21)
InChIKeyMOZBQVBSAHFRJX-UHFFFAOYSA-N
XLogP2.56
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104593100
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 113248158
4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
CID 104593077

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 115672352) is N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1cc(C#N)c(NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is MOZBQVBSAHFRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c1-20-7-9(6-17)11(19-20)18-12(21)8-2-4-10(5-3-8)13(14,15)16/h2-5,7H,1H3,(H,18,19,21).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 294.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 115672352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).