1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C11H13IN2OS — CID 103028000

IUPAC1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1csc(I)c1
InChIInChI=1S/C11H13IN2OS/c1-14-9(4-5-13-14)2-3-10(15)8-6-11(12)16-7-8/h4-7,10,15H,2-3H2,1H3
InChIKeyCTKIKVUCWIFSSK-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.75
Rot. Bonds4

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

1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103028000) has the molecular formula C11H13IN2OS and a molecular weight of 348.21 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103028000
Molecular FormulaC11H13IN2OS
Molecular Weight348.21 g/mol
Exact Mass347.98
IUPAC Name1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1csc(I)c1
InChIInChI=1S/C11H13IN2OS/c1-14-9(4-5-13-14)2-3-10(15)8-6-11(12)16-7-8/h4-7,10,15H,2-3H2,1H3
InChIKeyCTKIKVUCWIFSSK-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103028000) is 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is CTKIKVUCWIFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2OS/c1-14-9(4-5-13-14)2-3-10(15)8-6-11(12)16-7-8/h4-7,10,15H,2-3H2,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 348.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103028000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).