1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol

C16H18N2OS — CID 105119200

IUPAC1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccc3ccsc23)n(CC)n1
InChIInChI=1S/C16H18N2OS/c1-3-12-10-14(18(4-2)17-12)15(19)13-7-5-6-11-8-9-20-16(11)13/h5-10,15,19H,3-4H2,1-2H3
InChIKeyNZJJTJMUQANZTN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.76
Rot. Bonds4

About 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol

1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol (PubChem CID 105119200) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
PubChem CID105119200
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cccc3ccsc23)n(CC)n1
InChIInChI=1S/C16H18N2OS/c1-3-12-10-14(18(4-2)17-12)15(19)13-7-5-6-11-8-9-20-16(11)13/h5-10,15,19H,3-4H2,1-2H3
InChIKeyNZJJTJMUQANZTN-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
(1,3-diethylpyrazol-5-yl)-quinolin-5-ylmethanol
CID 105118165
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102842163
(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105132344

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol (CID 105119200) is 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol is CCc1cc(C(O)c2cccc3ccsc23)n(CC)n1.
What is the InChIKey of 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol?
The InChIKey is NZJJTJMUQANZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-12-10-14(18(4-2)17-12)15(19)13-7-5-6-11-8-9-20-16(11)13/h5-10,15,19H,3-4H2,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol?
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol has a molecular weight of 286.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol is sourced from PubChem (CID 105119200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).