3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

C10H17N3O — CID 83847578

IUPAC3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCOc1nn(C)c2c1CNC2C(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)8-9-7(5-11-8)10(14-4)12-13(9)3/h6,8,11H,5H2,1-4H3
InChIKeyNSKBCCHNLKVFFH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.23
Rot. Bonds2

About 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 83847578) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID83847578
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCOc1nn(C)c2c1CNC2C(C)C
InChIInChI=1S/C10H17N3O/c1-6(2)8-9-7(5-11-8)10(14-4)12-13(9)3/h6,8,11H,5H2,1-4H3
InChIKeyNSKBCCHNLKVFFH-UHFFFAOYSA-N
XLogP1.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83848451
3-methoxy-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83845943
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845803
methyl (7S)-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylate
CID 118274912
4-(3-methoxy-1-methylpyrazol-5-yl)-1-propan-2-ylpiperidine
CID 176692933
3-[2-(2-methoxyethoxy)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83245268
6-bromo-5,8-dimethoxy-7-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 84608511
(4S,15S)-4,15-di(propan-2-yl)-3,6,13,16-tetrazatetracyclo[16.6.6.019,24.025,30]triaconta-1(24),18,20,22,25,27,29-heptaene-5,14-dione
CID 101379525
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
4-tert-butyl-3,5-dimethoxy-1-methylpyrazole
CID 146378445
4-propan-2-yl-1,3-diazepan-5-one
CID 91522647

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 83847578) is 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is COc1nn(C)c2c1CNC2C(C)C.
What is the InChIKey of 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is NSKBCCHNLKVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)8-9-7(5-11-8)10(14-4)12-13(9)3/h6,8,11H,5H2,1-4H3.
What are the key properties of 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 195.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83847578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).