5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C10H8F3N3 — CID 614845

IUPAC5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
InChIKeyUKCQZEKREUKMTN-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.68
Rot. Bonds1

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

5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 614845) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID614845
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
InChIKeyUKCQZEKREUKMTN-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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 614845) is 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is UKCQZEKREUKMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-[3-(trifluoromethyl)phenyl]-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 5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).