(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol

C11H14N2OS — CID 171763235

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCCn1cc(C(O)c2cccs2)c(C)n1
InChIInChI=1S/C11H14N2OS/c1-3-13-7-9(8(2)12-13)11(14)10-5-4-6-15-10/h4-7,11,14H,3H2,1-2H3
InChIKeyRKDIZRKIBGGIRS-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.35
Rot. Bonds3

About (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol

(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 171763235) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID171763235
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCCn1cc(C(O)c2cccs2)c(C)n1
InChIInChI=1S/C11H14N2OS/c1-3-13-7-9(8(2)12-13)11(14)10-5-4-6-15-10/h4-7,11,14H,3H2,1-2H3
InChIKeyRKDIZRKIBGGIRS-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 171763235) is (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol is CCn1cc(C(O)c2cccs2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is RKDIZRKIBGGIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-13-7-9(8(2)12-13)11(14)10-5-4-6-15-10/h4-7,11,14H,3H2,1-2H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
(1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 222.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 171763235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).