5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C11H18FN3 — CID 70938159

IUPAC5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCCN1Cc2cn(CC(C)(C)F)nc2C1
InChIInChI=1S/C11H18FN3/c1-4-14-5-9-6-15(8-11(2,3)12)13-10(9)7-14/h6H,4-5,7-8H2,1-3H3
InChIKeyATUJCILCATZBOW-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.97
Rot. Bonds3

About 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 70938159) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID70938159
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCCN1Cc2cn(CC(C)(C)F)nc2C1
InChIInChI=1S/C11H18FN3/c1-4-14-5-9-6-15(8-11(2,3)12)13-10(9)7-14/h6H,4-5,7-8H2,1-3H3
InChIKeyATUJCILCATZBOW-UHFFFAOYSA-N
XLogP1.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole dihydrochloride
CID 54772414
(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110225820
1,3,4-Trimethylpyrazole
CID 2733984
(1-butyl-3-methyl-1H-pyrazol-4-yl)methanamine
CID 64450213
N-cyclopentyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 91767126
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 118773108
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 10878060
4-Methyl-1-propyl-5-(trifluoromethyl)pyrazole
CID 20686656
3-Difluoromethyl-1,4-dimethylpyrazole
CID 22980781
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 57931331
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 59215135

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 70938159) is 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CCN1Cc2cn(CC(C)(C)F)nc2C1.
What is the InChIKey of 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is ATUJCILCATZBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-4-14-5-9-6-15(8-11(2,3)12)13-10(9)7-14/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 211.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 70938159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).