1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C15H16N2O2S — CID 114635146

IUPAC1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1csc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-3-17-14(12(19-2)8-16-17)15(18)11-9-20-13-7-5-4-6-10(11)13/h4-9,15,18H,3H2,1-2H3
InChIKeyPMVNOMPKVRFLOH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.21
Rot. Bonds4

About 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114635146) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114635146
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1csc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-3-17-14(12(19-2)8-16-17)15(18)11-9-20-13-7-5-4-6-10(11)13/h4-9,15,18H,3H2,1-2H3
InChIKeyPMVNOMPKVRFLOH-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638597
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114635146) is 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is PMVNOMPKVRFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-17-14(12(19-2)8-16-17)15(18)11-9-20-13-7-5-4-6-10(11)13/h4-9,15,18H,3H2,1-2H3.
What are the key properties of 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 288.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114635146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).