1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

C14H21N3OS — CID 105117842

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCCc1cc(C(O)Cc2nc(C)c(C)s2)n(CC)n1
InChIInChI=1S/C14H21N3OS/c1-5-11-7-12(17(6-2)16-11)13(18)8-14-15-9(3)10(4)19-14/h7,13,18H,5-6,8H2,1-4H3
InChIKeyHRNWPMFTVNLAMT-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.81
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (PubChem CID 105117842) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
PubChem CID105117842
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCCc1cc(C(O)Cc2nc(C)c(C)s2)n(CC)n1
InChIInChI=1S/C14H21N3OS/c1-5-11-7-12(17(6-2)16-11)13(18)8-14-15-9(3)10(4)19-14/h7,13,18H,5-6,8H2,1-4H3
InChIKeyHRNWPMFTVNLAMT-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (CID 105117842) is 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is CCc1cc(C(O)Cc2nc(C)c(C)s2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is HRNWPMFTVNLAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-11-7-12(17(6-2)16-11)13(18)8-14-15-9(3)10(4)19-14/h7,13,18H,5-6,8H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 279.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 105117842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).