(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol

C9H12N4OS — CID 103138724

IUPAC(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCCc1nnsc1C(O)c1ccn(C)n1
InChIInChI=1S/C9H12N4OS/c1-3-6-9(15-12-10-6)8(14)7-4-5-13(2)11-7/h4-5,8,14H,3H2,1-2H3
InChIKeyQELQSRKQGKACMY-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.92
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol

(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138724) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138724
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCCc1nnsc1C(O)c1ccn(C)n1
InChIInChI=1S/C9H12N4OS/c1-3-6-9(15-12-10-6)8(14)7-4-5-13(2)11-7/h4-5,8,14H,3H2,1-2H3
InChIKeyQELQSRKQGKACMY-UHFFFAOYSA-N
XLogP0.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol (CID 103138724) is (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol is CCc1nnsc1C(O)c1ccn(C)n1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is QELQSRKQGKACMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-3-6-9(15-12-10-6)8(14)7-4-5-13(2)11-7/h4-5,8,14H,3H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 224.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).