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

C9H5F4N3 — CID 115111633

IUPAC5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2F)[nH]n1
InChIInChI=1S/C9H5F4N3/c10-4-1-3(5-2-6(14)16-15-5)7(11)9(13)8(4)12/h1-2H,(H3,14,15,16)
InChIKeyPKZSOAQFGUSAMO-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.22
Rot. Bonds1

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

5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine (PubChem CID 115111633) has the molecular formula C9H5F4N3 and a molecular weight of 231.15 g/mol. Its IUPAC name is 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
PubChem CID115111633
Molecular FormulaC9H5F4N3
Molecular Weight231.15 g/mol
Exact Mass231.04
IUPAC Name5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2F)[nH]n1
InChIInChI=1S/C9H5F4N3/c10-4-1-3(5-2-6(14)16-15-5)7(11)9(13)8(4)12/h1-2H,(H3,14,15,16)
InChIKeyPKZSOAQFGUSAMO-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine (CID 115111633) is 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2cc(F)c(F)c(F)c2F)[nH]n1.
What is the InChIKey of 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is PKZSOAQFGUSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N3/c10-4-1-3(5-2-6(14)16-15-5)7(11)9(13)8(4)12/h1-2H,(H3,14,15,16).
What are the key properties of 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine?
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 231.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115111633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).