3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol

C15H20N2OS — CID 103027906

IUPAC3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2CCCc3sccc32)cn1
InChIInChI=1S/C15H20N2OS/c1-17-10-11(9-16-17)5-6-14(18)12-3-2-4-15-13(12)7-8-19-15/h7-10,12,14,18H,2-6H2,1H3
InChIKeyGWFWTQBMIXVXJG-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.90
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol

3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol (PubChem CID 103027906) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol
PubChem CID103027906
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2CCCc3sccc32)cn1
InChIInChI=1S/C15H20N2OS/c1-17-10-11(9-16-17)5-6-14(18)12-3-2-4-15-13(12)7-8-19-15/h7-10,12,14,18H,2-6H2,1H3
InChIKeyGWFWTQBMIXVXJG-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol (CID 103027906) is 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol is Cn1cc(CCC(O)C2CCCc3sccc32)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol?
The InChIKey is GWFWTQBMIXVXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17-10-11(9-16-17)5-6-14(18)12-3-2-4-15-13(12)7-8-19-15/h7-10,12,14,18H,2-6H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol is sourced from PubChem (CID 103027906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).