methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate

C12H9N3O2S — CID 171491004

IUPACmethyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2nn(-c3cccnc3)cc2s1
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)10-5-9-11(18-10)7-15(14-9)8-3-2-4-13-6-8/h2-7H,1H3
InChIKeyQBTGVMPWQLYCJW-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.27
Rot. Bonds2

About methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate

methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate (PubChem CID 171491004) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
PubChem CID171491004
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Namemethyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2nn(-c3cccnc3)cc2s1
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)10-5-9-11(18-10)7-15(14-9)8-3-2-4-13-6-8/h2-7H,1H3
InChIKeyQBTGVMPWQLYCJW-UHFFFAOYSA-N
XLogP2.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 54467787
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
CID 146381573
1-(2-pyridin-3-ylindazol-4-yl)ethanone
CID 122516362
methyl 4-bromo-5-pyridin-3-ylthiophene-2-carboxylate
CID 165446791
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
methyl 1-pyridin-3-yl-4-(2,2,2-trichloroacetyl)pyrrole-2-carboxylate
CID 114605295
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
CID 135303887

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate?
The IUPAC name of methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate (CID 171491004) is methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate?
The canonical SMILES for methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate is COC(=O)c1cc2nn(-c3cccnc3)cc2s1.
What is the InChIKey of methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate?
The InChIKey is QBTGVMPWQLYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-17-12(16)10-5-9-11(18-10)7-15(14-9)8-3-2-4-13-6-8/h2-7H,1H3.
What are the key properties of methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate?
methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate is sourced from PubChem (CID 171491004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).