2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

C12H16ClN3OS — CID 105107414

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1scnc1C
InChIInChI=1S/C12H16ClN3OS/c1-4-16-9(11(13)7(2)15-16)5-10(17)12-8(3)14-6-18-12/h6,10,17H,4-5H2,1-3H3
InChIKeyDKSUSXFFPZNRPL-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 105107414) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID105107414
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1scnc1C
InChIInChI=1S/C12H16ClN3OS/c1-4-16-9(11(13)7(2)15-16)5-10(17)12-8(3)14-6-18-12/h6,10,17H,4-5H2,1-3H3
InChIKeyDKSUSXFFPZNRPL-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 105107414) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is CCn1nc(C)c(Cl)c1CC(O)c1scnc1C.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is DKSUSXFFPZNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-4-16-9(11(13)7(2)15-16)5-10(17)12-8(3)14-6-18-12/h6,10,17H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 285.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 105107414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).