1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol

C11H14N2OS — CID 63220271

IUPAC1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1cc(CC(C)(O)c2cccs2)cn1
InChIInChI=1S/C11H14N2OS/c1-11(14,10-4-3-5-15-10)6-9-7-12-13(2)8-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyRRDDGSOWIURRJZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.93
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol

1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 63220271) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
PubChem CID63220271
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1cc(CC(C)(O)c2cccs2)cn1
InChIInChI=1S/C11H14N2OS/c1-11(14,10-4-3-5-15-10)6-9-7-12-13(2)8-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyRRDDGSOWIURRJZ-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol (CID 63220271) is 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol is Cn1cc(CC(C)(O)c2cccs2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is RRDDGSOWIURRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(14,10-4-3-5-15-10)6-9-7-12-13(2)8-9/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 63220271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).