3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine

C13H17N3O2S — CID 67285082

IUPAC3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine
SMILESCOCCOCCSc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C13H17N3O2S/c1-17-5-6-18-7-8-19-12-10-15-16-13(12)11-3-2-4-14-9-11/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyRNRVZLJRPZQLOE-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.23
Rot. Bonds8

About 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine

3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 67285082) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine
PubChem CID67285082
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine
SMILESCOCCOCCSc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C13H17N3O2S/c1-17-5-6-18-7-8-19-12-10-15-16-13(12)11-3-2-4-14-9-11/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyRNRVZLJRPZQLOE-UHFFFAOYSA-N
XLogP2.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
(E)-N-methoxy-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanimine
CID 167935057
3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine
CID 67284292
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 115589679
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
2-(2-methoxyethoxy)ethoxy-dimethyl-(pyridin-3-ylmethoxy)silane
CID 91700003

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine (CID 67285082) is 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine is COCCOCCSc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is RNRVZLJRPZQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-17-5-6-18-7-8-19-12-10-15-16-13(12)11-3-2-4-14-9-11/h2-4,9-10H,5-8H2,1H3,(H,15,16).
What are the key properties of 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine?
3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 279.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 67285082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).