1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

C5H7F3N4 — CID 66509522

IUPAC1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESNc1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C5H7F3N4/c6-5(7,8)2-12-1-3(9)4(10)11-12/h1H,2,9H2,(H2,10,11)
InChIKeyRRWZEZGPZSDOJF-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.61
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (PubChem CID 66509522) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
PubChem CID66509522
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESNc1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C5H7F3N4/c6-5(7,8)2-12-1-3(9)4(10)11-12/h1H,2,9H2,(H2,10,11)
InChIKeyRRWZEZGPZSDOJF-UHFFFAOYSA-N
XLogP0.61
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (CID 66509522) is 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is Nc1cn(CC(F)(F)F)nc1N.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The InChIKey is RRWZEZGPZSDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c6-5(7,8)2-12-1-3(9)4(10)11-12/h1H,2,9H2,(H2,10,11).
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine has a molecular weight of 180.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 66509522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).