3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine

C12H15N3S — CID 43158807

IUPAC3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2cc3c(s2)CCC3)nn(C)c1N
InChIInChI=1S/C12H15N3S/c1-7-11(14-15(2)12(7)13)10-6-8-4-3-5-9(8)16-10/h6H,3-5,13H2,1-2H3
InChIKeyGZWROXFPGYKXPR-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.53
Rot. Bonds1

About 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine

3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine (PubChem CID 43158807) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine
PubChem CID43158807
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2cc3c(s2)CCC3)nn(C)c1N
InChIInChI=1S/C12H15N3S/c1-7-11(14-15(2)12(7)13)10-6-8-4-3-5-9(8)16-10/h6H,3-5,13H2,1-2H3
InChIKeyGZWROXFPGYKXPR-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine (CID 43158807) is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2cc3c(s2)CCC3)nn(C)c1N.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is GZWROXFPGYKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-7-11(14-15(2)12(7)13)10-6-8-4-3-5-9(8)16-10/h6H,3-5,13H2,1-2H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine?
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 43158807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).