N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C12H12F3N3 — CID 150074108

IUPACN-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NCc2ccccc2)cn1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)9-18-8-11(7-17-18)16-6-10-4-2-1-3-5-10/h1-5,7-8,16H,6,9H2
InChIKeyDPWZJDUEVQJLQP-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.06
Rot. Bonds4

About N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 150074108) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID150074108
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NCc2ccccc2)cn1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)9-18-8-11(7-17-18)16-6-10-4-2-1-3-5-10/h1-5,7-8,16H,6,9H2
InChIKeyDPWZJDUEVQJLQP-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-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-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 150074108) is N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is FC(F)(F)Cn1cc(NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is DPWZJDUEVQJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)9-18-8-11(7-17-18)16-6-10-4-2-1-3-5-10/h1-5,7-8,16H,6,9H2.
What are the key properties of N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 255.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 150074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).