3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C10H10N2S — CID 71531121

IUPAC3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1cc(-c2cnn3c2CCC3)cs1
InChIInChI=1S/C10H10N2S/c1-2-10-9(6-11-12(10)4-1)8-3-5-13-7-8/h3,5-7H,1-2,4H2
InChIKeyGSHFPMPRSKGZSF-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.56
Rot. Bonds1

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

3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 71531121) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID71531121
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1cc(-c2cnn3c2CCC3)cs1
InChIInChI=1S/C10H10N2S/c1-2-10-9(6-11-12(10)4-1)8-3-5-13-7-8/h3,5-7H,1-2,4H2
InChIKeyGSHFPMPRSKGZSF-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 71531121) is 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is c1cc(-c2cnn3c2CCC3)cs1.
What is the InChIKey of 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is GSHFPMPRSKGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-10-9(6-11-12(10)4-1)8-3-5-13-7-8/h3,5-7H,1-2,4H2.
What are the key properties of 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 190.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 71531121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).