3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C17H23N3O — CID 3663559

IUPAC3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCCc1nn(-c2ccccc2OCC)c2c1CCN2
InChIInChI=1S/C17H23N3O/c1-3-5-8-14-13-11-12-18-17(13)20(19-14)15-9-6-7-10-16(15)21-4-2/h6-7,9-10,18H,3-5,8,11-12H2,1-2H3
InChIKeyQLZCXYHSCBYDOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.58
Rot. Bonds6

About 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3663559) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3663559
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCCc1nn(-c2ccccc2OCC)c2c1CCN2
InChIInChI=1S/C17H23N3O/c1-3-5-8-14-13-11-12-18-17(13)20(19-14)15-9-6-7-10-16(15)21-4-2/h6-7,9-10,18H,3-5,8,11-12H2,1-2H3
InChIKeyQLZCXYHSCBYDOR-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3663559) is 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCCCc1nn(-c2ccccc2OCC)c2c1CCN2.
What is the InChIKey of 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is QLZCXYHSCBYDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-8-14-13-11-12-18-17(13)20(19-14)15-9-6-7-10-16(15)21-4-2/h6-7,9-10,18H,3-5,8,11-12H2,1-2H3.
What are the key properties of 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 285.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3663559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).