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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Related Compounds

3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 113396503
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
N,4-dimethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596381
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
4-(3,4-dihydro-2H-chromen-6-yl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylpyrazole-3-carbaldehyde
CID 90096217
2-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113431638
4-ethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115394685
4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115393552
3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538876
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 104720792
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071651
2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325270

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).