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

C9H10N2OS — CID 61088586

IUPAC(1-methylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1cc(C(O)c2cccs2)cn1
InChIInChI=1S/C9H10N2OS/c1-11-6-7(5-10-11)9(12)8-3-2-4-13-8/h2-6,9,12H,1H3
InChIKeyQEZUSKGPTOELKN-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.56
Rot. Bonds2

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

(1-methylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 61088586) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID61088586
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(1-methylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1cc(C(O)c2cccs2)cn1
InChIInChI=1S/C9H10N2OS/c1-11-6-7(5-10-11)9(12)8-3-2-4-13-8/h2-6,9,12H,1H3
InChIKeyQEZUSKGPTOELKN-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 61088586) is (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol is Cn1cc(C(O)c2cccs2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is QEZUSKGPTOELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-11-6-7(5-10-11)9(12)8-3-2-4-13-8/h2-6,9,12H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol?
(1-methylpyrazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 194.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 61088586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).