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

C7H8F3N3 — CID 54772405

IUPAC1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CNC2
InChIInChI=1S/C7H8F3N3/c1-13-5-3-11-2-4(5)6(12-13)7(8,9)10/h11H,2-3H2,1H3
InChIKeyBNQVSDXZRMOUKD-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.04
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 54772405) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID54772405
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CNC2
InChIInChI=1S/C7H8F3N3/c1-13-5-3-11-2-4(5)6(12-13)7(8,9)10/h11H,2-3H2,1H3
InChIKeyBNQVSDXZRMOUKD-UHFFFAOYSA-N
XLogP1.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 54772405) is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is Cn1nc(C(F)(F)F)c2c1CNC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is BNQVSDXZRMOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-13-5-3-11-2-4(5)6(12-13)7(8,9)10/h11H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 191.16 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 54772405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).