3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

C8H11F3N4O — CID 7018487

IUPAC3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)NN
InChIInChI=1S/C8H11F3N4O/c1-5-4-6(8(9,10)11)14-15(5)3-2-7(16)13-12/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyKMBCZIZBMXBYLI-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.59
Rot. Bonds3

About 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 7018487) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID7018487
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)NN
InChIInChI=1S/C8H11F3N4O/c1-5-4-6(8(9,10)11)14-15(5)3-2-7(16)13-12/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyKMBCZIZBMXBYLI-UHFFFAOYSA-N
XLogP0.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 7018487) is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1cc(C(F)(F)F)nn1CCC(=O)NN.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is KMBCZIZBMXBYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-5-4-6(8(9,10)11)14-15(5)3-2-7(16)13-12/h4H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 236.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7018487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).