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

C7H8F3N3 — CID 83847134

IUPAC2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CNC2
InChIInChI=1S/C7H8F3N3/c1-13-6(7(8,9)10)4-2-11-3-5(4)12-13/h11H,2-3H2,1H3
InChIKeyXQSKUBXETVEVNG-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.04
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 83847134) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID83847134
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CNC2
InChIInChI=1S/C7H8F3N3/c1-13-6(7(8,9)10)4-2-11-3-5(4)12-13/h11H,2-3H2,1H3
InChIKeyXQSKUBXETVEVNG-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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Related Compounds

Sbb010340
CID 6492580
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine
CID 45096965
3-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole
CID 50989373
1-Methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 54772405
3,4,5-Trimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 57871986
1,4-Diethyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 70988309
5-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 71204665
1-Ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 89861408
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 90162092
5-Methyl-2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 90162095
3-(1,1-Difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 90162113
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 90162125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 83847134) is 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cn1nc2c(c1C(F)(F)F)CNC2.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is XQSKUBXETVEVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-13-6(7(8,9)10)4-2-11-3-5(4)12-13/h11H,2-3H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]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 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 83847134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).