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

C12H14N2OS — CID 103138544

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc3c(s2)CCC3)n1
InChIInChI=1S/C12H14N2OS/c1-14-6-5-9(13-14)12(15)11-7-8-3-2-4-10(8)16-11/h5-7,12,15H,2-4H2,1H3
InChIKeyHJCOWBSTJQJDSS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.05
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138544) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
PubChem CID103138544
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc3c(s2)CCC3)n1
InChIInChI=1S/C12H14N2OS/c1-14-6-5-9(13-14)12(15)11-7-8-3-2-4-10(8)16-11/h5-7,12,15H,2-4H2,1H3
InChIKeyHJCOWBSTJQJDSS-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
CID 115798529
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol (CID 103138544) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cc3c(s2)CCC3)n1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol?
The InChIKey is HJCOWBSTJQJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14-6-5-9(13-14)12(15)11-7-8-3-2-4-10(8)16-11/h5-7,12,15H,2-4H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).