2-(trifluoromethyl)pyrazole-3-carbohydrazide

C5H5F3N4O — CID 146013346

IUPAC2-(trifluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccnn1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)4(13)11-9/h1-2H,9H2,(H,11,13)
InChIKeyDNXGQQRGTSMNBB-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.04
Rot. Bonds1

About 2-(trifluoromethyl)pyrazole-3-carbohydrazide

2-(trifluoromethyl)pyrazole-3-carbohydrazide (PubChem CID 146013346) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrazole-3-carbohydrazide
PubChem CID146013346
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-(trifluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccnn1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)4(13)11-9/h1-2H,9H2,(H,11,13)
InChIKeyDNXGQQRGTSMNBB-UHFFFAOYSA-N
XLogP-0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.04
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-(trifluoromethyl)pyrazole-3-carbohydrazide?
The IUPAC name of 2-(trifluoromethyl)pyrazole-3-carbohydrazide (CID 146013346) is 2-(trifluoromethyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 2-(trifluoromethyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 2-(trifluoromethyl)pyrazole-3-carbohydrazide is NNC(=O)c1ccnn1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrazole-3-carbohydrazide?
The InChIKey is DNXGQQRGTSMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)4(13)11-9/h1-2H,9H2,(H,11,13).
What are the key properties of 2-(trifluoromethyl)pyrazole-3-carbohydrazide?
2-(trifluoromethyl)pyrazole-3-carbohydrazide has a molecular weight of 194.12 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 146013346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).