N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine

C9H15F3N4 — CID 120843679

IUPACN,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H15F3N4/c1-13-3-4-16(2)6-7-5-8(15-14-7)9(10,11)12/h5,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXJHOJHQRGXKMIP-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.08
Rot. Bonds5

About N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 120843679) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID120843679
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC NameN,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H15F3N4/c1-13-3-4-16(2)6-7-5-8(15-14-7)9(10,11)12/h5,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXJHOJHQRGXKMIP-UHFFFAOYSA-N
XLogP1.08
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine 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,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine (CID 120843679) is N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is XJHOJHQRGXKMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-13-3-4-16(2)6-7-5-8(15-14-7)9(10,11)12/h5,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 236.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 120843679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).