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

C9H6F3N3 — CID 115111632

IUPAC5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)cc(F)c2F)[nH]n1
InChIInChI=1S/C9H6F3N3/c10-4-1-5(9(12)6(11)2-4)7-3-8(13)15-14-7/h1-3H,(H3,13,14,15)
InChIKeyZNTXFXCBRCOTNV-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.08
Rot. Bonds1

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

5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine (PubChem CID 115111632) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
PubChem CID115111632
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)cc(F)c2F)[nH]n1
InChIInChI=1S/C9H6F3N3/c10-4-1-5(9(12)6(11)2-4)7-3-8(13)15-14-7/h1-3H,(H3,13,14,15)
InChIKeyZNTXFXCBRCOTNV-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117390598
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 63186082
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317
5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117308914
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
CID 117456786
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
CID 117293129
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
CID 117334288
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine (CID 115111632) is 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2cc(F)cc(F)c2F)[nH]n1.
What is the InChIKey of 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is ZNTXFXCBRCOTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-4-1-5(9(12)6(11)2-4)7-3-8(13)15-14-7/h1-3H,(H3,13,14,15).
What are the key properties of 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine?
5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 213.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115111632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).