N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

C8H11F3N4O — CID 126483678

IUPACN',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCN(C)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-14(2)13-7(16)5-4-15(3)12-6(5)8(9,10)11/h4H,1-3H3,(H,13,16)
InChIKeyCTLLSPVEHIZRFT-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.65
Rot. Bonds2

About N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide

N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 126483678) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID126483678
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESCN(C)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-14(2)13-7(16)5-4-15(3)12-6(5)8(9,10)11/h4H,1-3H3,(H,13,16)
InChIKeyCTLLSPVEHIZRFT-UHFFFAOYSA-N
XLogP0.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 126483678) is N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is CN(C)NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is CTLLSPVEHIZRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-14(2)13-7(16)5-4-15(3)12-6(5)8(9,10)11/h4H,1-3H3,(H,13,16).
What are the key properties of N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide?
N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 236.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',1-trimethyl-3-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 126483678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).