5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C10H17F3N4 — CID 66019943

IUPAC5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)8-7(14)9(17(4)15-8)16(3)5-10(11,12)13/h6H,5,14H2,1-4H3
InChIKeyBMEFBXYMZONCSG-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.12
Rot. Bonds3

About 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66019943) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66019943
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-6(2)8-7(14)9(17(4)15-8)16(3)5-10(11,12)13/h6H,5,14H2,1-4H3
InChIKeyBMEFBXYMZONCSG-UHFFFAOYSA-N
XLogP2.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-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 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66019943) is 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(N(C)CC(F)(F)F)c1N.
What is the InChIKey of 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is BMEFBXYMZONCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-6(2)8-7(14)9(17(4)15-8)16(3)5-10(11,12)13/h6H,5,14H2,1-4H3.
What are the key properties of 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66019943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).