3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine

C15H21F3N6 — CID 135117152

IUPAC3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine
SMILESCc1cc(C(F)(F)F)n(CC(C)CNc2nccnc2N(C)C)n1
InChIInChI=1S/C15H21F3N6/c1-10(8-21-13-14(23(3)4)20-6-5-19-13)9-24-12(15(16,17)18)7-11(2)22-24/h5-7,10H,8-9H2,1-4H3,(H,19,21)
InChIKeyZIHPWDRPHYGXTN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.81
Rot. Bonds6

About 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine

3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine (PubChem CID 135117152) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine
PubChem CID135117152
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine
SMILESCc1cc(C(F)(F)F)n(CC(C)CNc2nccnc2N(C)C)n1
InChIInChI=1S/C15H21F3N6/c1-10(8-21-13-14(23(3)4)20-6-5-19-13)9-24-12(15(16,17)18)7-11(2)22-24/h5-7,10H,8-9H2,1-4H3,(H,19,21)
InChIKeyZIHPWDRPHYGXTN-UHFFFAOYSA-N
XLogP2.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-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 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine (CID 135117152) is 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine is Cc1cc(C(F)(F)F)n(CC(C)CNc2nccnc2N(C)C)n1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine?
The InChIKey is ZIHPWDRPHYGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-10(8-21-13-14(23(3)4)20-6-5-19-13)9-24-12(15(16,17)18)7-11(2)22-24/h5-7,10H,8-9H2,1-4H3,(H,19,21).
What are the key properties of 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine?
3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine has a molecular weight of 342.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazine-2,3-diamine is sourced from PubChem (CID 135117152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).