1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol

C10H13N3OS — CID 83090034

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCc1nn(C)cc1C(O)Cc1nccs1
InChIInChI=1S/C10H13N3OS/c1-7-8(6-13(2)12-7)9(14)5-10-11-3-4-15-10/h3-4,6,9,14H,5H2,1-2H3
InChIKeyJTSPWVXPYWXNAZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.46
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol

1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 83090034) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID83090034
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCc1nn(C)cc1C(O)Cc1nccs1
InChIInChI=1S/C10H13N3OS/c1-7-8(6-13(2)12-7)9(14)5-10-11-3-4-15-10/h3-4,6,9,14H,5H2,1-2H3
InChIKeyJTSPWVXPYWXNAZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 83090034) is 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol is Cc1nn(C)cc1C(O)Cc1nccs1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is JTSPWVXPYWXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-8(6-13(2)12-7)9(14)5-10-11-3-4-15-10/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 83090034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).