N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide

C6H7F3N4O — CID 137028858

IUPACN'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide
SMILESCn1nc(C(N)=NO)cc1C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-4(6(7,8)9)2-3(11-13)5(10)12-14/h2,14H,1H3,(H2,10,12)
InChIKeyNXKRFRBJRITZSR-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.53
Rot. Bonds1

About N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide

N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide (PubChem CID 137028858) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide
PubChem CID137028858
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide
SMILESCn1nc(C(N)=NO)cc1C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-4(6(7,8)9)2-3(11-13)5(10)12-14/h2,14H,1H3,(H2,10,12)
InChIKeyNXKRFRBJRITZSR-UHFFFAOYSA-N
XLogP0.53
TPSA76.43 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide (CID 137028858) is N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide is Cn1nc(C(N)=NO)cc1C(F)(F)F.
What is the InChIKey of N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide?
The InChIKey is NXKRFRBJRITZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-4(6(7,8)9)2-3(11-13)5(10)12-14/h2,14H,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide?
N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide has a molecular weight of 208.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide is sourced from PubChem (CID 137028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).