N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine

C8H12F3N3 — CID 67149595

IUPACN-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine
SMILESCNCc1c(C)cnn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-3-13-14(5-8(9,10)11)7(6)4-12-2/h3,12H,4-5H2,1-2H3
InChIKeyKXJBVBLGEVSYHZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine

N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine (PubChem CID 67149595) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine
PubChem CID67149595
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine
SMILESCNCc1c(C)cnn1CC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-3-13-14(5-8(9,10)11)7(6)4-12-2/h3,12H,4-5H2,1-2H3
InChIKeyKXJBVBLGEVSYHZ-UHFFFAOYSA-N
XLogP1.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine 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-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine (CID 67149595) is N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine is CNCc1c(C)cnn1CC(F)(F)F.
What is the InChIKey of N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine?
The InChIKey is KXJBVBLGEVSYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6-3-13-14(5-8(9,10)11)7(6)4-12-2/h3,12H,4-5H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine?
N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]methanamine is sourced from PubChem (CID 67149595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).