N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

C15H15F3N4O2 — CID 78901856

IUPACN'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O2/c1-3-9-4-6-10(7-5-9)13(23)19-20-14(24)11-8-22(2)21-12(11)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKTJIMDOFPVMLMX-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.08
Rot. Bonds3

About N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 78901856) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID78901856
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O2/c1-3-9-4-6-10(7-5-9)13(23)19-20-14(24)11-8-22(2)21-12(11)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKTJIMDOFPVMLMX-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylcarbamoyl)phenyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020417
1-methyl-N-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890303
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 87008601
N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008846
4-fluoro-3-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 75516525
3-[[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid
CID 91644944
N-[(E)-3-(4-chlorophenyl)but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 23661198
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-[2-(2-carbamoylhydrazinyl)-2-oxoethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159994113
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 21084524

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 78901856) is N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is KTJIMDOFPVMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-3-9-4-6-10(7-5-9)13(23)19-20-14(24)11-8-22(2)21-12(11)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 340.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 78901856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).