N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine

C18H16F3N3 — CID 70473721

IUPACN-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
SMILESFC(F)(F)Cc1cccc(-n2ccc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)12-15-7-4-8-16(11-15)24-10-9-17(23-24)22-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23)
InChIKeyBEJZGLXPPSWTTB-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.59
Rot. Bonds5

About N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine

N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine (PubChem CID 70473721) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
PubChem CID70473721
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC NameN-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
SMILESFC(F)(F)Cc1cccc(-n2ccc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)12-15-7-4-8-16(11-15)24-10-9-17(23-24)22-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23)
InChIKeyBEJZGLXPPSWTTB-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-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-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The IUPAC name of N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine (CID 70473721) is N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine is FC(F)(F)Cc1cccc(-n2ccc(NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The InChIKey is BEJZGLXPPSWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c19-18(20,21)12-15-7-4-8-16(11-15)24-10-9-17(23-24)22-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23).
What are the key properties of N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine has a molecular weight of 331.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 70473721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).