5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine

C12H9F3N4 — CID 136985546

IUPAC5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3cccc(C(F)(F)F)c3[nH]2)[nH]n1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)7-3-1-2-6-4-8(17-11(6)7)9-5-10(16)19-18-9/h1-5,17H,(H3,16,18,19)
InChIKeyVPLWLGJUSUCUSO-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.16
Rot. Bonds1

About 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine

5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine (PubChem CID 136985546) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine
PubChem CID136985546
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3cccc(C(F)(F)F)c3[nH]2)[nH]n1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)7-3-1-2-6-4-8(17-11(6)7)9-5-10(16)19-18-9/h1-5,17H,(H3,16,18,19)
InChIKeyVPLWLGJUSUCUSO-UHFFFAOYSA-N
XLogP3.16
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine (CID 136985546) is 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine is Nc1cc(-c2cc3cccc(C(F)(F)F)c3[nH]2)[nH]n1.
What is the InChIKey of 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine?
The InChIKey is VPLWLGJUSUCUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)7-3-1-2-6-4-8(17-11(6)7)9-5-10(16)19-18-9/h1-5,17H,(H3,16,18,19).
What are the key properties of 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine?
5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine has a molecular weight of 266.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(trifluoromethyl)-1H-indol-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 136985546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).