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

C10H16F3N3 — CID 144718936

IUPACethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
SMILESCC.Cc1[nH]nc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H10F3N3.C2H6/c1-5-6-2-14(4-8(9,10)11)3-7(6)13-12-5;1-2/h2-4H2,1H3,(H,12,13);1-2H3
InChIKeyDLNMUTJXKIXCTC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.62
Rot. Bonds1

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

ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole (PubChem CID 144718936) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Nameethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
PubChem CID144718936
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Nameethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
SMILESCC.Cc1[nH]nc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H10F3N3.C2H6/c1-5-6-2-14(4-8(9,10)11)3-7(6)13-12-5;1-2/h2-4H2,1H3,(H,12,13);1-2H3
InChIKeyDLNMUTJXKIXCTC-UHFFFAOYSA-N
XLogP2.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333
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
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
3-Methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491713

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole (CID 144718936) is ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole is CC.Cc1[nH]nc2c1CN(CC(F)(F)F)C2.
What is the InChIKey of ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
The InChIKey is DLNMUTJXKIXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.C2H6/c1-5-6-2-14(4-8(9,10)11)3-7(6)13-12-5;1-2/h2-4H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole?
ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole has a molecular weight of 235.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 144718936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).