N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide

C6H7F3N4 — CID 162571080

IUPACN'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
SMILESNC=NCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-1-2-13(12-5)4-11-3-10/h1-3H,4H2,(H2,10,11)
InChIKeyBFKUUGRZPONMIG-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.85
Rot. Bonds2

About N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide

N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide (PubChem CID 162571080) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide.

Molecular Properties

Compound NameN'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
PubChem CID162571080
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC NameN'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
SMILESNC=NCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-1-2-13(12-5)4-11-3-10/h1-3H,4H2,(H2,10,11)
InChIKeyBFKUUGRZPONMIG-UHFFFAOYSA-N
XLogP0.85
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-[(E)-but-2-enyl]-3-(trifluoromethyl)pyrazole
CID 116621378
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
CID 153355444
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine
CID 62443327

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide?
The IUPAC name of N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide (CID 162571080) is N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide.
What is the SMILES notation for N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide?
The canonical SMILES for N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide is NC=NCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide?
The InChIKey is BFKUUGRZPONMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)5-1-2-13(12-5)4-11-3-10/h1-3H,4H2,(H2,10,11).
What are the key properties of N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide?
N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide has a molecular weight of 192.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide is sourced from PubChem (CID 162571080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).