ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate

C9H13N3O2 — CID 122650777

IUPACethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate
SMILESCCOC(=O)Nc1cc2n(n1)CCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)10-8-6-7-4-3-5-12(7)11-8/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyCEXRKBKRHQOVBG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.40
Rot. Bonds2

About ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate

ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate (PubChem CID 122650777) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate
PubChem CID122650777
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate
SMILESCCOC(=O)Nc1cc2n(n1)CCC2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)10-8-6-7-4-3-5-12(7)11-8/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyCEXRKBKRHQOVBG-UHFFFAOYSA-N
XLogP1.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate?
The IUPAC name of ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate (CID 122650777) is ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate is CCOC(=O)Nc1cc2n(n1)CCC2.
What is the InChIKey of ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate?
The InChIKey is CEXRKBKRHQOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)10-8-6-7-4-3-5-12(7)11-8/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate?
ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate is sourced from PubChem (CID 122650777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).