O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate

C11H12N2OS — CID 164578687

IUPACO-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate
SMILESCCc1c(C(=S)OC)nn2ccccc12
InChIInChI=1S/C11H12N2OS/c1-3-8-9-6-4-5-7-13(9)12-10(8)11(15)14-2/h4-7H,3H2,1-2H3
InChIKeyAFKHDNVWWLGDAP-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.22
Rot. Bonds2

About O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate

O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate (PubChem CID 164578687) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate.

Molecular Properties

Compound NameO-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate
PubChem CID164578687
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameO-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate
SMILESCCc1c(C(=S)OC)nn2ccccc12
InChIInChI=1S/C11H12N2OS/c1-3-8-9-6-4-5-7-13(9)12-10(8)11(15)14-2/h4-7H,3H2,1-2H3
InChIKeyAFKHDNVWWLGDAP-UHFFFAOYSA-N
XLogP2.22
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylpyrazolo[1,5-a]pyridin-2-yl)ethanamine
CID 130018760
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethanamine
CID 53364274
4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde
CID 87671116
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386
1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 83879148
methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate
CID 112757360
2-N-propylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 90445488
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
3-aminopyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 12011916
[3-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 67068254

Frequently Asked Questions

What is the IUPAC name of O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate?
The IUPAC name of O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate (CID 164578687) is O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate.
What is the SMILES notation for O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate?
The canonical SMILES for O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate is CCc1c(C(=S)OC)nn2ccccc12.
What is the InChIKey of O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate?
The InChIKey is AFKHDNVWWLGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-8-9-6-4-5-7-13(9)12-10(8)11(15)14-2/h4-7H,3H2,1-2H3.
What are the key properties of O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate?
O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate has a molecular weight of 220.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 3-ethylpyrazolo[1,5-a]pyridine-2-carbothioate is sourced from PubChem (CID 164578687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).