2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol

C16H15N3OS — CID 135566618

IUPAC2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1
InChIInChI=1S/C16H15N3OS/c1-16(2,20)10-4-3-9-7-13(17-12(9)8-10)14-15-11(18-19-14)5-6-21-15/h3-8,17,20H,1-2H3,(H,18,19)
InChIKeyFVSUKLKFSDSIEF-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.00
Rot. Bonds2

About 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol

2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol (PubChem CID 135566618) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol
PubChem CID135566618
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1
InChIInChI=1S/C16H15N3OS/c1-16(2,20)10-4-3-9-7-13(17-12(9)8-10)14-15-11(18-19-14)5-6-21-15/h3-8,17,20H,1-2H3,(H,18,19)
InChIKeyFVSUKLKFSDSIEF-UHFFFAOYSA-N
XLogP4.00
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol (CID 135566618) is 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol is CC(C)(O)c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1.
What is the InChIKey of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol?
The InChIKey is FVSUKLKFSDSIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-16(2,20)10-4-3-9-7-13(17-12(9)8-10)14-15-11(18-19-14)5-6-21-15/h3-8,17,20H,1-2H3,(H,18,19).
What are the key properties of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol?
2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol has a molecular weight of 297.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol is sourced from PubChem (CID 135566618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).