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

C9H13F3N4O — CID 17024607

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NN
InChIInChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)
InChIKeyWMYCFCXEWMSLMY-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.84
Rot. Bonds3

About 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 17024607) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID17024607
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NN
InChIInChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)
InChIKeyWMYCFCXEWMSLMY-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.84
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 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 17024607) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is WMYCFCXEWMSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 250.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 17024607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).