2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol

C13H18N2OS — CID 121213881

IUPAC2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol
SMILESCC(C)Cn1cc(CCO)c(-c2cccs2)n1
InChIInChI=1S/C13H18N2OS/c1-10(2)8-15-9-11(5-6-16)13(14-15)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyNWMVOXNGMCAJTM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol

2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol (PubChem CID 121213881) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol
PubChem CID121213881
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol
SMILESCC(C)Cn1cc(CCO)c(-c2cccs2)n1
InChIInChI=1S/C13H18N2OS/c1-10(2)8-15-9-11(5-6-16)13(14-15)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyNWMVOXNGMCAJTM-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
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-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol (CID 121213881) is 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol is CC(C)Cn1cc(CCO)c(-c2cccs2)n1.
What is the InChIKey of 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol?
The InChIKey is NWMVOXNGMCAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10(2)8-15-9-11(5-6-16)13(14-15)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol?
2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol has a molecular weight of 250.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-4-yl]ethanol is sourced from PubChem (CID 121213881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).