4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide

C11H12N4OS — CID 116801295

IUPAC4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
SMILESCCn1cc(Oc2ccnc(C(N)=S)c2)cn1
InChIInChI=1S/C11H12N4OS/c1-2-15-7-9(6-14-15)16-8-3-4-13-10(5-8)11(12)17/h3-7H,2H2,1H3,(H2,12,17)
InChIKeyIRPDSFSTQHKKMP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.72
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide

4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide (PubChem CID 116801295) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
PubChem CID116801295
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
SMILESCCn1cc(Oc2ccnc(C(N)=S)c2)cn1
InChIInChI=1S/C11H12N4OS/c1-2-15-7-9(6-14-15)16-8-3-4-13-10(5-8)11(12)17/h3-7H,2H2,1H3,(H2,12,17)
InChIKeyIRPDSFSTQHKKMP-UHFFFAOYSA-N
XLogP1.72
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
[4-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]hydrazine
CID 116806789
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
4-methoxypyridine-2-carbothioamide
CID 62926631
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
2-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 116801325

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide (CID 116801295) is 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide is CCn1cc(Oc2ccnc(C(N)=S)c2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide?
The InChIKey is IRPDSFSTQHKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-15-7-9(6-14-15)16-8-3-4-13-10(5-8)11(12)17/h3-7H,2H2,1H3,(H2,12,17).
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide?
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide has a molecular weight of 248.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide is sourced from PubChem (CID 116801295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).