4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine

C10H10F3N3 — CID 70511719

IUPAC4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(C(F)(F)F)CC1c1ccccc1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)16-6-8(9(14)15-16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15)
InChIKeyPZAKQDAHJUBWPV-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.88
Rot. Bonds1

About 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine

4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine (PubChem CID 70511719) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine
PubChem CID70511719
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(C(F)(F)F)CC1c1ccccc1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)16-6-8(9(14)15-16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15)
InChIKeyPZAKQDAHJUBWPV-UHFFFAOYSA-N
XLogP1.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine (CID 70511719) is 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine is NC1=NN(C(F)(F)F)CC1c1ccccc1.
What is the InChIKey of 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is PZAKQDAHJUBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)16-6-8(9(14)15-16)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15).
What are the key properties of 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine?
4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 229.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trifluoromethyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 70511719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).