1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C11H16N4OS — CID 103027994

IUPAC1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCCc1nnsc1C(O)CCc1ccnn1C
InChIInChI=1S/C11H16N4OS/c1-3-9-11(17-14-13-9)10(16)5-4-8-6-7-12-15(8)2/h6-7,10,16H,3-5H2,1-2H3
InChIKeyJZEFCLPDFPSECP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.50
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103027994) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103027994
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCCc1nnsc1C(O)CCc1ccnn1C
InChIInChI=1S/C11H16N4OS/c1-3-9-11(17-14-13-9)10(16)5-4-8-6-7-12-15(8)2/h6-7,10,16H,3-5H2,1-2H3
InChIKeyJZEFCLPDFPSECP-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103027994) is 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is CCc1nnsc1C(O)CCc1ccnn1C.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is JZEFCLPDFPSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-9-11(17-14-13-9)10(16)5-4-8-6-7-12-15(8)2/h6-7,10,16H,3-5H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103027994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).