N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine

C7H9F3N4 — CID 135215761

IUPACN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine
SMILESCNn1nc(C(F)(F)F)c2c1CNC2
InChIInChI=1S/C7H9F3N4/c1-11-14-5-3-12-2-4(5)6(13-14)7(8,9)10/h11-12H,2-3H2,1H3
InChIKeyDMPSJFFHLYRNFI-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.68
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine

N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine (PubChem CID 135215761) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine
PubChem CID135215761
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC NameN-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine
SMILESCNn1nc(C(F)(F)F)c2c1CNC2
InChIInChI=1S/C7H9F3N4/c1-11-14-5-3-12-2-4(5)6(13-14)7(8,9)10/h11-12H,2-3H2,1H3
InChIKeyDMPSJFFHLYRNFI-UHFFFAOYSA-N
XLogP0.68
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine (CID 135215761) is N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine is CNn1nc(C(F)(F)F)c2c1CNC2.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine?
The InChIKey is DMPSJFFHLYRNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-11-14-5-3-12-2-4(5)6(13-14)7(8,9)10/h11-12H,2-3H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine?
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine has a molecular weight of 206.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-amine is sourced from PubChem (CID 135215761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).