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

C14H18N2OS — CID 115798529

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H18N2OS/c1-2-8-16-11(6-7-15-16)14(17)13-9-10-4-3-5-12(10)18-13/h6-7,9,14,17H,2-5,8H2,1H3
InChIKeyIXPUSPNGQDTHRS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.92
Rot. Bonds4

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol (PubChem CID 115798529) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
PubChem CID115798529
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C14H18N2OS/c1-2-8-16-11(6-7-15-16)14(17)13-9-10-4-3-5-12(10)18-13/h6-7,9,14,17H,2-5,8H2,1H3
InChIKeyIXPUSPNGQDTHRS-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798611
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114981600
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
CID 103138544
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(4-bromo-1-propylpyrazol-5-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105041522
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030438
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol (CID 115798529) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol?
The InChIKey is IXPUSPNGQDTHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-8-16-11(6-7-15-16)14(17)13-9-10-4-3-5-12(10)18-13/h6-7,9,14,17H,2-5,8H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol has a molecular weight of 262.38 g/mol, XLogP of 2.92, 4 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-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 115798529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).