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

C12H16N2OS — CID 105113003

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
SMILESCCc1cc(C(O)c2sccc2C)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)11(15)12-8(2)5-6-16-12/h5-7,11,15H,4H2,1-3H3
InChIKeyDNTKTMBAUXUPPU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds3

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

(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol (PubChem CID 105113003) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
PubChem CID105113003
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
SMILESCCc1cc(C(O)c2sccc2C)n(C)n1
InChIInChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)11(15)12-8(2)5-6-16-12/h5-7,11,15H,4H2,1-3H3
InChIKeyDNTKTMBAUXUPPU-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)methanamine
CID 105166440
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
(3-ethyl-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanol
CID 105094194
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 105129301
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol (CID 105113003) is (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol is CCc1cc(C(O)c2sccc2C)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is DNTKTMBAUXUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-9-7-10(14(3)13-9)11(15)12-8(2)5-6-16-12/h5-7,11,15H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(3-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)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105113003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).