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

C7H9F3N4O — CID 7017529

IUPAC(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESC[C@H](C(=O)NN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15)/t4-/m1/s1
InChIKeyZMZLAUHVQWKSMB-SCSAIBSYSA-N
MW222.17 g/mol
LogP0.45
Rot. Bonds2

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

(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 7017529) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID7017529
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESC[C@H](C(=O)NN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15)/t4-/m1/s1
InChIKeyZMZLAUHVQWKSMB-SCSAIBSYSA-N
XLogP0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.45
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 (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 7017529) is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is C[C@H](C(=O)NN)n1ccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is ZMZLAUHVQWKSMB-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15)/t4-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 222.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).