N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine

C12H16F3N5 — CID 122167928

IUPACN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nccc1NCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N5/c1-8(2)20-10(4-5-17-20)16-6-9-7-19(3)18-11(9)12(13,14)15/h4-5,7-8,16H,6H2,1-3H3
InChIKeyGZBJFHITSRUUME-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.83
Rot. Bonds4

About N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine

N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine (PubChem CID 122167928) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
PubChem CID122167928
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nccc1NCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N5/c1-8(2)20-10(4-5-17-20)16-6-9-7-19(3)18-11(9)12(13,14)15/h4-5,7-8,16H,6H2,1-3H3
InChIKeyGZBJFHITSRUUME-UHFFFAOYSA-N
XLogP2.83
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine 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-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine (CID 122167928) is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine is CC(C)n1nccc1NCc1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The InChIKey is GZBJFHITSRUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-8(2)20-10(4-5-17-20)16-6-9-7-19(3)18-11(9)12(13,14)15/h4-5,7-8,16H,6H2,1-3H3.
What are the key properties of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122167928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).