4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C9H15F3N4 — CID 60890450

IUPAC4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CN
InChIInChI=1S/C9H15F3N4/c1-6-7(4-13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3
InChIKeyIGFYFYHWKJRABI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.19
Rot. Bonds3

About 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 60890450) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID60890450
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CN
InChIInChI=1S/C9H15F3N4/c1-6-7(4-13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3
InChIKeyIGFYFYHWKJRABI-UHFFFAOYSA-N
XLogP1.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-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 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 60890450) is 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CC(F)(F)F)c1CN.
What is the InChIKey of 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is IGFYFYHWKJRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-6-7(4-13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 236.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 60890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).