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

C9H11ClN4O2S — CID 105132660

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1csnn1
InChIInChI=1S/C9H11ClN4O2S/c1-16-3-2-14-8(6(10)4-11-14)9(15)7-5-17-13-12-7/h4-5,9,15H,2-3H2,1H3
InChIKeyLQJPQLDRBJPDDY-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.12
Rot. Bonds5

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

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol (PubChem CID 105132660) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
PubChem CID105132660
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1csnn1
InChIInChI=1S/C9H11ClN4O2S/c1-16-3-2-14-8(6(10)4-11-14)9(15)7-5-17-13-12-7/h4-5,9,15H,2-3H2,1H3
InChIKeyLQJPQLDRBJPDDY-UHFFFAOYSA-N
XLogP1.12
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.12
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)methanamine
CID 105189953
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021
(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 105132690
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360
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]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylsulfanylphenyl)methanol
CID 106848319
[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
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol (CID 105132660) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol is COCCn1ncc(Cl)c1C(O)c1csnn1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol?
The InChIKey is LQJPQLDRBJPDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-16-3-2-14-8(6(10)4-11-14)9(15)7-5-17-13-12-7/h4-5,9,15H,2-3H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol has a molecular weight of 274.73 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).