2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol

C17H20N2OS — CID 114910889

IUPAC2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(C)(O)c2cc3ccccc3s2)n(C)n1
InChIInChI=1S/C17H20N2OS/c1-4-13-10-14(19(3)18-13)11-17(2,20)16-9-12-7-5-6-8-15(12)21-16/h5-10,20H,4,11H2,1-3H3
InChIKeyMGMKGZQNJPSFJK-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.65
Rot. Bonds4

About 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol

2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol (PubChem CID 114910889) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
PubChem CID114910889
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
SMILESCCc1cc(CC(C)(O)c2cc3ccccc3s2)n(C)n1
InChIInChI=1S/C17H20N2OS/c1-4-13-10-14(19(3)18-13)11-17(2,20)16-9-12-7-5-6-8-15(12)21-16/h5-10,20H,4,11H2,1-3H3
InChIKeyMGMKGZQNJPSFJK-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol (CID 114910889) is 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol is CCc1cc(CC(C)(O)c2cc3ccccc3s2)n(C)n1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
The InChIKey is MGMKGZQNJPSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-13-10-14(19(3)18-13)11-17(2,20)16-9-12-7-5-6-8-15(12)21-16/h5-10,20H,4,11H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol?
2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol has a molecular weight of 300.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 114910889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).