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

C11H18N2O — CID 130205037

IUPAC2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCCOc1nn2c(c1C(C)C)CCC2
InChIInChI=1S/C11H18N2O/c1-4-14-11-10(8(2)3)9-6-5-7-13(9)12-11/h8H,4-7H2,1-3H3
InChIKeyXVYBXBGAFSMCDT-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.35
Rot. Bonds3

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

2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 130205037) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID130205037
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCCOc1nn2c(c1C(C)C)CCC2
InChIInChI=1S/C11H18N2O/c1-4-14-11-10(8(2)3)9-6-5-7-13(9)12-11/h8H,4-7H2,1-3H3
InChIKeyXVYBXBGAFSMCDT-UHFFFAOYSA-N
XLogP2.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 130205037) is 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is CCOc1nn2c(c1C(C)C)CCC2.
What is the InChIKey of 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is XVYBXBGAFSMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-14-11-10(8(2)3)9-6-5-7-13(9)12-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 130205037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).