1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

C6H7F3N4O — CID 15376553

IUPAC1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-13-2-3(5(14)11-10)4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14)
InChIKeyQXVKRSHAEUGALI-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.04
Rot. Bonds1

About 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 15376553) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID15376553
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-13-2-3(5(14)11-10)4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14)
InChIKeyQXVKRSHAEUGALI-UHFFFAOYSA-N
XLogP0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.04
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 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 15376553) is 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is Cn1cc(C(=O)NN)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is QXVKRSHAEUGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-2-3(5(14)11-10)4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14).
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 208.14 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 1-methyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 15376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).