2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol

C17H17N3OS — CID 135481168

IUPAC2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol
SMILESCCC(CO)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1
InChIInChI=1S/C17H17N3OS/c1-2-10(9-21)11-3-4-13-12(7-11)8-15(18-13)16-17-14(19-20-16)5-6-22-17/h3-8,10,18,21H,2,9H2,1H3,(H,19,20)
InChIKeyLPTZZFQTMICNMG-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.26
Rot. Bonds4

About 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol

2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol (PubChem CID 135481168) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol
PubChem CID135481168
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol
SMILESCCC(CO)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1
InChIInChI=1S/C17H17N3OS/c1-2-10(9-21)11-3-4-13-12(7-11)8-15(18-13)16-17-14(19-20-16)5-6-22-17/h3-8,10,18,21H,2,9H2,1H3,(H,19,20)
InChIKeyLPTZZFQTMICNMG-UHFFFAOYSA-N
XLogP4.26
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-{2-[5-(Difluoromethyl)-2h-Thieno[3,2-C]pyrazol-3-Yl]-1h-Indol-6-Yl}pentan-3-Ol
CID 135566612
2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]propan-2-ol
CID 135566618
3-[2-(5-Phenyl-2h-Thieno[3,2-C]pyrazol-3-Yl)-1h-Indol-6-Yl]pentan-3-Ol
CID 135566613
3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]-pentan-3-ol
CID 136016241
1,1,1-trifluoro-2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]butan-2-ol
CID 136482129
1-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]propan-1-ol
CID 137047792
3-[2-[5-(1-fluoroethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
CID 160170782
3-(3,5-Dimethyl-1h-1-pyrazolyl)-5-methyl-2-(2-thienyl)-1h-indole
CID 129781723
3-[2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl]pentan-1-ol
CID 135476521
[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]methanol
CID 68371467
(2S)-2-[2-(2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-5-yl]butan-2-ol
CID 71020072
cyclohexylmethyl-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-ylmethyl]-amine
CID 135431571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol?
The IUPAC name of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol (CID 135481168) is 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol.
What is the SMILES notation for 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol?
The canonical SMILES for 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol is CCC(CO)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1.
What is the InChIKey of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol?
The InChIKey is LPTZZFQTMICNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-10(9-21)11-3-4-13-12(7-11)8-15(18-13)16-17-14(19-20-16)5-6-22-17/h3-8,10,18,21H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol?
2-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]butan-1-ol has a molecular weight of 311.41 g/mol, XLogP of 4.26, 4 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-5-yl]butan-1-ol is sourced from PubChem (CID 135481168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).