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

C5H6F3N3 — CID 66971464

IUPAC5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)2-3-1-4(9)11-10-3/h1H,2H2,(H3,9,10,11)
InChIKeyDHUYOTNOIUIJJD-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.10
Rot. Bonds1

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

5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine (PubChem CID 66971464) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
PubChem CID66971464
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)2-3-1-4(9)11-10-3/h1H,2H2,(H3,9,10,11)
InChIKeyDHUYOTNOIUIJJD-UHFFFAOYSA-N
XLogP1.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine (CID 66971464) is 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine is Nc1cc(CC(F)(F)F)[nH]n1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine?
The InChIKey is DHUYOTNOIUIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)2-3-1-4(9)11-10-3/h1H,2H2,(H3,9,10,11).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine?
5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine has a molecular weight of 165.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 66971464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).