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

C8H10N2O2 — CID 118139533

IUPACmethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
SMILESCOC(=O)c1cnn2c1CCC2
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-5-9-10-4-2-3-7(6)10/h5H,2-4H2,1H3
InChIKeyVNDXYIPWYBJOKP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.62
Rot. Bonds1

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

methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate (PubChem CID 118139533) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
PubChem CID118139533
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
SMILESCOC(=O)c1cnn2c1CCC2
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-5-9-10-4-2-3-7(6)10/h5H,2-4H2,1H3
InChIKeyVNDXYIPWYBJOKP-UHFFFAOYSA-N
XLogP0.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The IUPAC name of methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate (CID 118139533) is methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The canonical SMILES for methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate is COC(=O)c1cnn2c1CCC2.
What is the InChIKey of methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
The InChIKey is VNDXYIPWYBJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)6-5-9-10-4-2-3-7(6)10/h5H,2-4H2,1H3.
What are the key properties of methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate?
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate is sourced from PubChem (CID 118139533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).