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

C9H12F3N3 — CID 118491729

IUPAC3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CN(CCC(F)(F)F)C2
InChIInChI=1S/C9H12F3N3/c1-6-7-4-15(3-2-9(10,11)12)5-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyCIPPEYKTDOFXTA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.99
Rot. Bonds2

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

3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole (PubChem CID 118491729) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
PubChem CID118491729
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
SMILESCc1[nH]nc2c1CN(CCC(F)(F)F)C2
InChIInChI=1S/C9H12F3N3/c1-6-7-4-15(3-2-9(10,11)12)5-8(7)14-13-6/h2-5H2,1H3,(H,13,14)
InChIKeyCIPPEYKTDOFXTA-UHFFFAOYSA-N
XLogP1.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole
CID 50989373
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
6-Propan-2-yl-3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 68211073
5-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 71204665
5-Methyl-2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 90162095
2,5-Dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 90167600
1,5-Dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 90167687
3-iodo-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 117614475
3-(Fluoromethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 117956506
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489372
3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
CID 118491639

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole (CID 118491729) is 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole is Cc1[nH]nc2c1CN(CCC(F)(F)F)C2.
What is the InChIKey of 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The InChIKey is CIPPEYKTDOFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7-4-15(3-2-9(10,11)12)5-8(7)14-13-6/h2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole has a molecular weight of 219.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 118491729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).