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

C8H7F3N4 — CID 96611318

IUPAC5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine
SMILESNc1c[nH]c(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-1-2-15(14-6)7-3-5(12)4-13-7/h1-4,13H,12H2
InChIKeyUXPKZBCNHCWARD-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.80
Rot. Bonds1

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

5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine (PubChem CID 96611318) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine
PubChem CID96611318
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine
SMILESNc1c[nH]c(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-1-2-15(14-6)7-3-5(12)4-13-7/h1-4,13H,12H2
InChIKeyUXPKZBCNHCWARD-UHFFFAOYSA-N
XLogP1.80
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine (CID 96611318) is 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine is Nc1c[nH]c(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine?
The InChIKey is UXPKZBCNHCWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)6-1-2-15(14-6)7-3-5(12)4-13-7/h1-4,13H,12H2.
What are the key properties of 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine?
5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine has a molecular weight of 216.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrol-3-amine is sourced from PubChem (CID 96611318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).