N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C15H15F3N4O2 — CID 2351774

IUPACN'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESC=C(NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OC)cc1
InChIInChI=1S/C15H15F3N4O2/c1-10(11-3-5-12(24-2)6-4-11)19-20-14(23)9-22-8-7-13(21-22)15(16,17)18/h3-8,19H,1,9H2,2H3,(H,20,23)
InChIKeyROKLFWXRZYISSU-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.20
Rot. Bonds6

About N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 2351774) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID2351774
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESC=C(NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OC)cc1
InChIInChI=1S/C15H15F3N4O2/c1-10(11-3-5-12(24-2)6-4-11)19-20-14(23)9-22-8-7-13(21-22)15(16,17)18/h3-8,19H,1,9H2,2H3,(H,20,23)
InChIKeyROKLFWXRZYISSU-UHFFFAOYSA-N
XLogP2.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 2351774) is N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is C=C(NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OC)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is ROKLFWXRZYISSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-10(11-3-5-12(24-2)6-4-11)19-20-14(23)9-22-8-7-13(21-22)15(16,17)18/h3-8,19H,1,9H2,2H3,(H,20,23).
What are the key properties of N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 340.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 2351774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).