3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide

C11H12N4OS — CID 116801318

IUPAC3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
SMILESCCn1cc(Oc2cnccc2C(N)=S)cn1
InChIInChI=1S/C11H12N4OS/c1-2-15-7-8(5-14-15)16-10-6-13-4-3-9(10)11(12)17/h3-7H,2H2,1H3,(H2,12,17)
InChIKeyBINCAECVOMSBTJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.72
Rot. Bonds4

About 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide

3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide (PubChem CID 116801318) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
PubChem CID116801318
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
SMILESCCn1cc(Oc2cnccc2C(N)=S)cn1
InChIInChI=1S/C11H12N4OS/c1-2-15-7-8(5-14-15)16-10-6-13-4-3-9(10)11(12)17/h3-7H,2H2,1H3,(H2,12,17)
InChIKeyBINCAECVOMSBTJ-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

3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116801198
3-(4-butan-2-ylphenoxy)pyridine-4-carbothioamide
CID 107664883
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
2-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 116801325
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide
CID 107664918

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide (CID 116801318) is 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide is CCn1cc(Oc2cnccc2C(N)=S)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide?
The InChIKey is BINCAECVOMSBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-15-7-8(5-14-15)16-10-6-13-4-3-9(10)11(12)17/h3-7H,2H2,1H3,(H2,12,17).
What are the key properties of 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide?
3-(1-ethylpyrazol-4-yl)oxypyridine-4-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 3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide is sourced from PubChem (CID 116801318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).