2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol

C11H16N4OS — CID 75437609

IUPAC2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2cscn2)c1C
InChIInChI=1S/C11H16N4OS/c1-8-9(2)14-15(3-4-16)11(8)12-5-10-6-17-7-13-10/h6-7,12,16H,3-5H2,1-2H3
InChIKeyQRZDUESXNJAEBH-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.56
Rot. Bonds5

About 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol

2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol (PubChem CID 75437609) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol
PubChem CID75437609
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(NCc2cscn2)c1C
InChIInChI=1S/C11H16N4OS/c1-8-9(2)14-15(3-4-16)11(8)12-5-10-6-17-7-13-10/h6-7,12,16H,3-5H2,1-2H3
InChIKeyQRZDUESXNJAEBH-UHFFFAOYSA-N
XLogP1.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol (CID 75437609) is 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol is Cc1nn(CCO)c(NCc2cscn2)c1C.
What is the InChIKey of 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The InChIKey is QRZDUESXNJAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-9(2)14-15(3-4-16)11(8)12-5-10-6-17-7-13-10/h6-7,12,16H,3-5H2,1-2H3.
What are the key properties of 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol?
2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol has a molecular weight of 252.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethyl-5-(1,3-thiazol-4-ylmethylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 75437609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).