1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol

C10H12N2O2S — CID 155559694

IUPAC1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(-c2ccsc2)cc1C(O)CO
InChIInChI=1S/C10H12N2O2S/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3
InChIKeyRACLVMGFGBWGBU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.17
Rot. Bonds3

About 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol

1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol (PubChem CID 155559694) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
PubChem CID155559694
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(-c2ccsc2)cc1C(O)CO
InChIInChI=1S/C10H12N2O2S/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3
InChIKeyRACLVMGFGBWGBU-UHFFFAOYSA-N
XLogP1.17
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol (CID 155559694) is 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol is Cn1nc(-c2ccsc2)cc1C(O)CO.
What is the InChIKey of 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol?
The InChIKey is RACLVMGFGBWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-12-9(10(14)5-13)4-8(11-12)7-2-3-15-6-7/h2-4,6,10,13-14H,5H2,1H3.
What are the key properties of 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol?
1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol has a molecular weight of 224.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155559694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).