1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C11H13N3S — CID 5026714

IUPAC1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCn1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C11H13N3S/c1-14-11-9(4-5-12-11)10(13-14)7-8-3-2-6-15-8/h2-3,6,12H,4-5,7H2,1H3
InChIKeyZKNPOWIKLKSYIV-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.04
Rot. Bonds2

About 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 5026714) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID5026714
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCn1nc(Cc2cccs2)c2c1NCC2
InChIInChI=1S/C11H13N3S/c1-14-11-9(4-5-12-11)10(13-14)7-8-3-2-6-15-8/h2-3,6,12H,4-5,7H2,1H3
InChIKeyZKNPOWIKLKSYIV-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 5026714) is 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Cn1nc(Cc2cccs2)c2c1NCC2.
What is the InChIKey of 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is ZKNPOWIKLKSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14-11-9(4-5-12-11)10(13-14)7-8-3-2-6-15-8/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 219.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiophen-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 5026714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).