ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate

C9H12N2O2 — CID 12841167

IUPACethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cnn2c1CCC2
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3
InChIKeyZWHDQPNZDVSPGL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds2

About ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate

ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate (PubChem CID 12841167) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
PubChem CID12841167
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cnn2c1CCC2
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3
InChIKeyZWHDQPNZDVSPGL-UHFFFAOYSA-N
XLogP1.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate (CID 12841167) is ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate is CCOC(=O)c1cnn2c1CCC2.
What is the InChIKey of ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The InChIKey is ZWHDQPNZDVSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3.
What are the key properties of ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate is sourced from PubChem (CID 12841167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).