3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C10H11N3S — CID 96617884

IUPAC3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c2c(nn1-c1cccs1)CNC2
InChIInChI=1S/C10H11N3S/c1-7-8-5-11-6-9(8)12-13(7)10-3-2-4-14-10/h2-4,11H,5-6H2,1H3
InChIKeyJVXCUBVWIYQCFK-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.85
Rot. Bonds1

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

3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 96617884) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID96617884
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c2c(nn1-c1cccs1)CNC2
InChIInChI=1S/C10H11N3S/c1-7-8-5-11-6-9(8)12-13(7)10-3-2-4-14-10/h2-4,11H,5-6H2,1H3
InChIKeyJVXCUBVWIYQCFK-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 96617884) is 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cc1c2c(nn1-c1cccs1)CNC2.
What is the InChIKey of 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is JVXCUBVWIYQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-8-5-11-6-9(8)12-13(7)10-3-2-4-14-10/h2-4,11H,5-6H2,1H3.
What are the key properties of 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 205.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 96617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).