3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

C12H20N2O — CID 129293099

IUPAC3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCCOc1nn2c(c1C(C)(C)C)CCC2
InChIInChI=1S/C12H20N2O/c1-5-15-11-10(12(2,3)4)9-7-6-8-14(9)13-11/h5-8H2,1-4H3
InChIKeyVOYPNAQMXIALDM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.53
Rot. Bonds2

About 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 129293099) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID129293099
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCCOc1nn2c(c1C(C)(C)C)CCC2
InChIInChI=1S/C12H20N2O/c1-5-15-11-10(12(2,3)4)9-7-6-8-14(9)13-11/h5-8H2,1-4H3
InChIKeyVOYPNAQMXIALDM-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 129293099) is 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is CCOc1nn2c(c1C(C)(C)C)CCC2.
What is the InChIKey of 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is VOYPNAQMXIALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-15-11-10(12(2,3)4)9-7-6-8-14(9)13-11/h5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 208.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethoxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 129293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).