N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide

C6H7F3N4O — CID 178112245

IUPACN-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCN(N)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4O/c1-13(10)5(14)3-2-4(12-11-3)6(7,8)9/h2H,10H2,1H3,(H,11,12)
InChIKeyTXEPTVHLVTXLAQ-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.37
Rot. Bonds1

About N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide

N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 178112245) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
PubChem CID178112245
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCN(N)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4O/c1-13(10)5(14)3-2-4(12-11-3)6(7,8)9/h2H,10H2,1H3,(H,11,12)
InChIKeyTXEPTVHLVTXLAQ-UHFFFAOYSA-N
XLogP0.37
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (CID 178112245) is N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is CN(N)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is TXEPTVHLVTXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13(10)5(14)3-2-4(12-11-3)6(7,8)9/h2H,10H2,1H3,(H,11,12).
What are the key properties of N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 208.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 178112245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).