3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C10H17N3O — CID 123783922

IUPAC3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCCc1n[nH]c2c1CN(CCOC)C2
InChIInChI=1S/C10H17N3O/c1-3-9-8-6-13(4-5-14-2)7-10(8)12-11-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyVOZRHGQVHRRURW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.93
Rot. Bonds4

About 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 123783922) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID123783922
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCCc1n[nH]c2c1CN(CCOC)C2
InChIInChI=1S/C10H17N3O/c1-3-9-8-6-13(4-5-14-2)7-10(8)12-11-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyVOZRHGQVHRRURW-UHFFFAOYSA-N
XLogP0.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 123783922) is 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is CCc1n[nH]c2c1CN(CCOC)C2.
What is the InChIKey of 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is VOZRHGQVHRRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9-8-6-13(4-5-14-2)7-10(8)12-11-9/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 195.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methoxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 123783922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).