2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol

C12H16N2OS — CID 64772057

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCC(C)n1ccc(CC(O)c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-9(2)14-6-5-10(13-14)8-11(15)12-4-3-7-16-12/h3-7,9,11,15H,8H2,1-2H3
InChIKeyMNBBMTZFYKIAEP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.80
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol

2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol (PubChem CID 64772057) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol
PubChem CID64772057
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCC(C)n1ccc(CC(O)c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-9(2)14-6-5-10(13-14)8-11(15)12-4-3-7-16-12/h3-7,9,11,15H,8H2,1-2H3
InChIKeyMNBBMTZFYKIAEP-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol (CID 64772057) is 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol is CC(C)n1ccc(CC(O)c2cccs2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is MNBBMTZFYKIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)14-6-5-10(13-14)8-11(15)12-4-3-7-16-12/h3-7,9,11,15H,8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol?
2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 236.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 64772057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).