(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

C13H19ClN4O2S — CID 105132690

IUPAC(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19ClN4O2S/c1-13(2,3)12-11(21-17-16-12)10(19)9-8(14)7-15-18(9)5-6-20-4/h7,10,19H,5-6H2,1-4H3
InChIKeyYYFFMWBTNKDWDN-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.41
Rot. Bonds5

About (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (PubChem CID 105132690) has the molecular formula C13H19ClN4O2S and a molecular weight of 330.84 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
PubChem CID105132690
Molecular FormulaC13H19ClN4O2S
Molecular Weight330.84 g/mol
Exact Mass330.09
IUPAC Name(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19ClN4O2S/c1-13(2,3)12-11(21-17-16-12)10(19)9-8(14)7-15-18(9)5-6-20-4/h7,10,19H,5-6H2,1-4H3
InChIKeyYYFFMWBTNKDWDN-UHFFFAOYSA-N
XLogP2.41
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
CID 105132660
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
CID 105189938
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (CID 105132690) is (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is COCCn1ncc(Cl)c1C(O)c1snnc1C(C)(C)C.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The InChIKey is YYFFMWBTNKDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2S/c1-13(2,3)12-11(21-17-16-12)10(19)9-8(14)7-15-18(9)5-6-20-4/h7,10,19H,5-6H2,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol has a molecular weight of 330.84 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 105132690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).