(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol

C12H16N2OS — CID 171763190

IUPAC(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCCc1nn(C)c(C)c1C(O)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-4-9-11(8(2)14(3)13-9)12(15)10-6-5-7-16-10/h5-7,12,15H,4H2,1-3H3
InChIKeyZSLWZDXPVYDWKK-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds3

About (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol

(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 171763190) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID171763190
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCCc1nn(C)c(C)c1C(O)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-4-9-11(8(2)14(3)13-9)12(15)10-6-5-7-16-10/h5-7,12,15H,4H2,1-3H3
InChIKeyZSLWZDXPVYDWKK-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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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 171763190) is (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol is CCc1nn(C)c(C)c1C(O)c1cccs1.
What is the InChIKey of (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is ZSLWZDXPVYDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-9-11(8(2)14(3)13-9)12(15)10-6-5-7-16-10/h5-7,12,15H,4H2,1-3H3.
What are the key properties of (3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
(3-ethyl-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol 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-1,5-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 171763190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).