4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine

C15H10F3N3 — CID 79754898

IUPAC4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)c(F)c2F)c1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-10-7-6-9(12(17)13(10)18)14-11(15(19)21-20-14)8-4-2-1-3-5-8/h1-7H,(H3,19,20,21)
InChIKeyBDIUYWRWLZSKQE-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.74
Rot. Bonds2

About 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine

4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine (PubChem CID 79754898) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
PubChem CID79754898
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)c(F)c2F)c1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-10-7-6-9(12(17)13(10)18)14-11(15(19)21-20-14)8-4-2-1-3-5-8/h1-7H,(H3,19,20,21)
InChIKeyBDIUYWRWLZSKQE-UHFFFAOYSA-N
XLogP3.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine (CID 79754898) is 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(F)c(F)c2F)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is BDIUYWRWLZSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-10-7-6-9(12(17)13(10)18)14-11(15(19)21-20-14)8-4-2-1-3-5-8/h1-7H,(H3,19,20,21).
What are the key properties of 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine?
4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 289.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79754898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).