N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine

C6H5F3N4 — CID 146284315

IUPACN'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine
SMILESCn1nc(C(F)(F)F)cc1N=C=N
InChIInChI=1S/C6H5F3N4/c1-13-5(11-3-10)2-4(12-13)6(7,8)9/h2,10H,1H3
InChIKeyBMZQMMVSEQTEQO-UHFFFAOYSA-N
MW190.13 g/mol
LogP1.82
Rot. Bonds1

About N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine

N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine (PubChem CID 146284315) has the molecular formula C6H5F3N4 and a molecular weight of 190.13 g/mol. Its IUPAC name is N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine.

Molecular Properties

Compound NameN'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine
PubChem CID146284315
Molecular FormulaC6H5F3N4
Molecular Weight190.13 g/mol
Exact Mass190.05
IUPAC NameN'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine
SMILESCn1nc(C(F)(F)F)cc1N=C=N
InChIInChI=1S/C6H5F3N4/c1-13-5(11-3-10)2-4(12-13)6(7,8)9/h2,10H,1H3
InChIKeyBMZQMMVSEQTEQO-UHFFFAOYSA-N
XLogP1.82
TPSA54.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
5-Isothiocyanato-1,3-dimethyl-1H-pyrazole
CID 10654427
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
1-Isobutyl-3-methyl-1H-pyrazol-5-amine
CID 19619869
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835

Frequently Asked Questions

What is the IUPAC name of N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine?
The IUPAC name of N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine (CID 146284315) is N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine.
What is the SMILES notation for N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine?
The canonical SMILES for N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine is Cn1nc(C(F)(F)F)cc1N=C=N.
What is the InChIKey of N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine?
The InChIKey is BMZQMMVSEQTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4/c1-13-5(11-3-10)2-4(12-13)6(7,8)9/h2,10H,1H3.
What are the key properties of N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine?
N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine has a molecular weight of 190.13 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanediimine is sourced from PubChem (CID 146284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).