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

C17H15N3OS — CID 174498938

IUPACcyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol
SMILESOC(c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1)C1CC1
InChIInChI=1S/C17H15N3OS/c21-16(9-1-2-9)11-4-3-10-7-14(18-13(10)8-11)15-17-12(19-20-15)5-6-22-17/h3-9,16,18,21H,1-2H2,(H,19,20)
InChIKeyLLTQGWYZCVCZKS-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.22
Rot. Bonds3

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

cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol (PubChem CID 174498938) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol
PubChem CID174498938
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Namecyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol
SMILESOC(c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1)C1CC1
InChIInChI=1S/C17H15N3OS/c21-16(9-1-2-9)11-4-3-10-7-14(18-13(10)8-11)15-17-12(19-20-15)5-6-22-17/h3-9,16,18,21H,1-2H2,(H,19,20)
InChIKeyLLTQGWYZCVCZKS-UHFFFAOYSA-N
XLogP4.22
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol?
The IUPAC name of cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol (CID 174498938) is cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol.
What is the SMILES notation for cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol?
The canonical SMILES for cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol is OC(c1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1)C1CC1.
What is the InChIKey of cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol?
The InChIKey is LLTQGWYZCVCZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(9-1-2-9)11-4-3-10-7-14(18-13(10)8-11)15-17-12(19-20-15)5-6-22-17/h3-9,16,18,21H,1-2H2,(H,19,20).
What are the key properties of cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol?
cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol has a molecular weight of 309.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]methanol is sourced from PubChem (CID 174498938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).