(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol

C12H16N2OS — CID 105109320

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
SMILESCCc1cc(C(O)c2ccc(C)s2)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)12(15)11-6-5-8(2)16-11/h5-7,12,15H,4H2,1-3H3
InChIKeyLVFVEXWKKBQMLH-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol (PubChem CID 105109320) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
PubChem CID105109320
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
SMILESCCc1cc(C(O)c2ccc(C)s2)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)12(15)11-6-5-8(2)16-11/h5-7,12,15H,4H2,1-3H3
InChIKeyLVFVEXWKKBQMLH-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 105129301
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol (CID 105109320) is (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol is CCc1cc(C(O)c2ccc(C)s2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is LVFVEXWKKBQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)12(15)11-6-5-8(2)16-11/h5-7,12,15H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).