5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

C7H9F3N4 — CID 83916459

IUPAC5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-14-1-4-5(2-14)12-13-6(4)11/h1-3H2,(H3,11,12,13)
InChIKeySGYPEPUTJUTECM-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83916459) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83916459
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-14-1-4-5(2-14)12-13-6(4)11/h1-3H2,(H3,11,12,13)
InChIKeySGYPEPUTJUTECM-UHFFFAOYSA-N
XLogP0.87
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (CID 83916459) is 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is Nc1n[nH]c2c1CN(CC(F)(F)F)C2.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is SGYPEPUTJUTECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)3-14-1-4-5(2-14)12-13-6(4)11/h1-3H2,(H3,11,12,13).
What are the key properties of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 206.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).