(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol

C11H16N4OS — CID 105081847

IUPAC(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cnn(CC)c1
InChIInChI=1S/C11H16N4OS/c1-3-5-9-11(17-14-13-9)10(16)8-6-12-15(4-2)7-8/h6-7,10,16H,3-5H2,1-2H3
InChIKeyOTIFPXSLDREBSU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.79
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol

(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105081847) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105081847
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1cnn(CC)c1
InChIInChI=1S/C11H16N4OS/c1-3-5-9-11(17-14-13-9)10(16)8-6-12-15(4-2)7-8/h6-7,10,16H,3-5H2,1-2H3
InChIKeyOTIFPXSLDREBSU-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080937
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105114391
(2-ethylpyrazol-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105098198
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105081796
(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol
CID 115779049
(1-ethylimidazol-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 65207463
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105130551
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol (CID 105081847) is (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1cnn(CC)c1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is OTIFPXSLDREBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-5-9-11(17-14-13-9)10(16)8-6-12-15(4-2)7-8/h6-7,10,16H,3-5H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol?
(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 252.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105081847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).