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

C18H19N3OS — CID 4039890

IUPAC1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C18H19N3OS/c1-2-22-17-8-4-3-7-16(17)21-18-14(9-10-19-18)15(20-21)12-13-6-5-11-23-13/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyUABDZUJUMLRAKV-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.89
Rot. Bonds5

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

1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4039890) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4039890
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C18H19N3OS/c1-2-22-17-8-4-3-7-16(17)21-18-14(9-10-19-18)15(20-21)12-13-6-5-11-23-13/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyUABDZUJUMLRAKV-UHFFFAOYSA-N
XLogP3.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.89
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-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4039890) is 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCOc1ccccc1-n1nc(Cc2cccs2)c2c1NCC2.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is UABDZUJUMLRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-22-17-8-4-3-7-16(17)21-18-14(9-10-19-18)15(20-21)12-13-6-5-11-23-13/h3-8,11,19H,2,9-10,12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2-ethoxyphenyl)-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 325.44 g/mol, XLogP of 3.89, 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-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4039890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).