4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

C10H8F3N3 — CID 4737235

IUPAC4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6/h1-5H,(H3,14,15,16)
InChIKeyPTOIGRHOCJXCQD-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.68
Rot. Bonds1

About 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 4737235) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID4737235
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6/h1-5H,(H3,14,15,16)
InChIKeyPTOIGRHOCJXCQD-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-5-(trifluoromethyl)-1H-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 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 4737235) is 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is PTOIGRHOCJXCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6/h1-5H,(H3,14,15,16).
What are the key properties of 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 227.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 4737235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).