[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine

C14H17F3N4 — CID 103026067

IUPAC[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4/c1-21-12(7-8-19-21)5-6-13(20-18)10-3-2-4-11(9-10)14(15,16)17/h2-4,7-9,13,20H,5-6,18H2,1H3
InChIKeyAOWVXRRVLNECLF-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.58
Rot. Bonds5

About [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine

[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 103026067) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID103026067
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N4/c1-21-12(7-8-19-21)5-6-13(20-18)10-3-2-4-11(9-10)14(15,16)17/h2-4,7-9,13,20H,5-6,18H2,1H3
InChIKeyAOWVXRRVLNECLF-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine (CID 103026067) is [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine is Cn1nccc1CCC(NN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is AOWVXRRVLNECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-21-12(7-8-19-21)5-6-13(20-18)10-3-2-4-11(9-10)14(15,16)17/h2-4,7-9,13,20H,5-6,18H2,1H3.
What are the key properties of [3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 298.31 g/mol, XLogP of 2.58, 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-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 103026067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).