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

C9H12N4OS — CID 105080937

IUPAC(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCCc1nnsc1C(O)c1cnn(C)c1
InChIInChI=1S/C9H12N4OS/c1-3-7-9(15-12-11-7)8(14)6-4-10-13(2)5-6/h4-5,8,14H,3H2,1-2H3
InChIKeyTXRRTIBWHZUWQL-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.92
Rot. Bonds3

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

(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 105080937) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID105080937
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCCc1nnsc1C(O)c1cnn(C)c1
InChIInChI=1S/C9H12N4OS/c1-3-7-9(15-12-11-7)8(14)6-4-10-13(2)5-6/h4-5,8,14H,3H2,1-2H3
InChIKeyTXRRTIBWHZUWQL-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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Related Compounds

(1-ethylpyrazol-4-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105081847
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
(4-ethylthiadiazol-5-yl)-(furan-2-yl)methanol
CID 105097357
(5-fluoro-3-pyridinyl)-(4-propylthiadiazol-5-yl)methanol
CID 105080455
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
(4-ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
CID 105114668
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 61333083

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol (CID 105080937) is (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol is CCc1nnsc1C(O)c1cnn(C)c1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is TXRRTIBWHZUWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-3-7-9(15-12-11-7)8(14)6-4-10-13(2)5-6/h4-5,8,14H,3H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-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-4-yl)methanol is sourced from PubChem (CID 105080937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).