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

C10H15N3O — CID 83847341

IUPAC1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(C2CCCO2)c2c1CNC2
InChIInChI=1S/C10H15N3O/c1-13-8-6-11-5-7(8)10(12-13)9-3-2-4-14-9/h9,11H,2-6H2,1H3
InChIKeySAOBDSNBPDPPHC-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.87
Rot. Bonds1

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

1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 83847341) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID83847341
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(C2CCCO2)c2c1CNC2
InChIInChI=1S/C10H15N3O/c1-13-8-6-11-5-7(8)10(12-13)9-3-2-4-14-9/h9,11H,2-6H2,1H3
InChIKeySAOBDSNBPDPPHC-UHFFFAOYSA-N
XLogP0.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 83848512
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
3-cyclohexyl-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83849486
4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
CID 121208079
1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110458839
N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
CID 83862241
3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115394978
4-(oxolan-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 115028003
3-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115393838
2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740598
4-(1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-7-methyl-5-[(2R)-oxolan-2-yl]imidazo[5,1-f][1,2,4]triazine
CID 118570004
8-(oxolan-2-yl)-3-propyl-7H-purine-2,6-dione
CID 112568856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 83847341) is 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is Cn1nc(C2CCCO2)c2c1CNC2.
What is the InChIKey of 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is SAOBDSNBPDPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-8-6-11-5-7(8)10(12-13)9-3-2-4-14-9/h9,11H,2-6H2,1H3.
What are the key properties of 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 193.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83847341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).