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

C10H15N3O — CID 82401859

IUPAC2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESc1c2c(nn1CC1CCCO1)CNC2
InChIInChI=1S/C10H15N3O/c1-2-9(14-3-1)7-13-6-8-4-11-5-10(8)12-13/h6,9,11H,1-5,7H2
InChIKeyXYTMAHSVLTVFAC-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.67
Rot. Bonds2

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

2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 82401859) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID82401859
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESc1c2c(nn1CC1CCCO1)CNC2
InChIInChI=1S/C10H15N3O/c1-2-9(14-3-1)7-13-6-8-4-11-5-10(8)12-13/h6,9,11H,1-5,7H2
InChIKeyXYTMAHSVLTVFAC-UHFFFAOYSA-N
XLogP0.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 67469568
4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine
CID 122240754
tert-butyl-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylmethoxy)-dimethylsilane
CID 175824634
2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83818730
1-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanone
CID 155480196
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95710949

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 82401859) is 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is c1c2c(nn1CC1CCCO1)CNC2.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is XYTMAHSVLTVFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-9(14-3-1)7-13-6-8-4-11-5-10(8)12-13/h6,9,11H,1-5,7H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 193.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 82401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).