3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

C10H15F2N3 — CID 90162125

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CNC2
InChIInChI=1S/C10H15F2N3/c1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h6,13H,4-5H2,1-3H3
InChIKeyJKALBBMMFNFNLB-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.18
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 90162125) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID90162125
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CNC2
InChIInChI=1S/C10H15F2N3/c1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h6,13H,4-5H2,1-3H3
InChIKeyJKALBBMMFNFNLB-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole with MolForge

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Related Compounds

3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
US11028083, Example 11
CID 139456552
US11028083, Example 50
CID 139456609
(1-methyl-1H,4H,5H,6H-cyclopenta(c)pyrazol-3-yl)methanamine
CID 28808654
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
1-Methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 54772405
4,5,6,7-Tetrahydro-1-methyl-3-(trifluoromethyl)pyrazolo-[4,3-c]-pyridine, hydrochloride
CID 69517021
4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-1,3,5-trimethylpyrazole
CID 69932273
5-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 71204665
4-[(4-Fluoropyrrolidin-2-yl)methyl]-1,3,5-trimethylpyrazole
CID 77746014

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 90162125) is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CNC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is JKALBBMMFNFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-6(2)15-8-5-13-4-7(8)9(14-15)10(3,11)12/h6,13H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 215.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 90162125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).