[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine

C13H15F3N4 — CID 103025939

IUPAC[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H15F3N4/c1-20-9(4-5-18-20)2-3-12(19-17)8-6-10(14)13(16)11(15)7-8/h4-7,12,19H,2-3,17H2,1H3
InChIKeyLHNYUGUFJHCDRX-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.97
Rot. Bonds5

About [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine

[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine (PubChem CID 103025939) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine
PubChem CID103025939
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H15F3N4/c1-20-9(4-5-18-20)2-3-12(19-17)8-6-10(14)13(16)11(15)7-8/h4-7,12,19H,2-3,17H2,1H3
InChIKeyLHNYUGUFJHCDRX-UHFFFAOYSA-N
XLogP1.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine 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 [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine?
The IUPAC name of [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine (CID 103025939) is [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine.
What is the SMILES notation for [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine?
The canonical SMILES for [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine is Cn1nccc1CCC(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine?
The InChIKey is LHNYUGUFJHCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-20-9(4-5-18-20)2-3-12(19-17)8-6-10(14)13(16)11(15)7-8/h4-7,12,19H,2-3,17H2,1H3.
What are the key properties of [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine?
[3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propyl]hydrazine is sourced from PubChem (CID 103025939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).