(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol

C9H10N2OS — CID 39095884

IUPAC(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESCn1cc(CO)c(-c2cccs2)n1
InChIInChI=1S/C9H10N2OS/c1-11-5-7(6-12)9(10-11)8-3-2-4-13-8/h2-5,12H,6H2,1H3
InChIKeyFTAHHULRTMYWJO-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.64
Rot. Bonds2

About (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol

(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol (PubChem CID 39095884) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol
PubChem CID39095884
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol
SMILESCn1cc(CO)c(-c2cccs2)n1
InChIInChI=1S/C9H10N2OS/c1-11-5-7(6-12)9(10-11)8-3-2-4-13-8/h2-5,12H,6H2,1H3
InChIKeyFTAHHULRTMYWJO-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol (CID 39095884) is (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol is Cn1cc(CO)c(-c2cccs2)n1.
What is the InChIKey of (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
The InChIKey is FTAHHULRTMYWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-11-5-7(6-12)9(10-11)8-3-2-4-13-8/h2-5,12H,6H2,1H3.
What are the key properties of (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol?
(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol has a molecular weight of 194.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-thiophen-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 39095884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).