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

C15H19N3O2 — CID 3945646

IUPAC1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(COC)c2c1NCC2
InChIInChI=1S/C15H19N3O2/c1-3-20-14-7-5-4-6-13(14)18-15-11(8-9-16-15)12(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyIKPDECVEMXSGMF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds5

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

1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3945646) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3945646
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(COC)c2c1NCC2
InChIInChI=1S/C15H19N3O2/c1-3-20-14-7-5-4-6-13(14)18-15-11(8-9-16-15)12(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyIKPDECVEMXSGMF-UHFFFAOYSA-N
XLogP2.39
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3945646) is 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCOc1ccccc1-n1nc(COC)c2c1NCC2.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is IKPDECVEMXSGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-14-7-5-4-6-13(14)18-15-11(8-9-16-15)12(17-18)10-19-2/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 273.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(methoxymethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3945646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).