1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid

C12H9N3O2S — CID 53212337

IUPAC1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccncc2)c2cc(C(=O)O)sc21
InChIInChI=1S/C12H9N3O2S/c1-15-11-8(6-9(18-11)12(16)17)10(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H,16,17)
InChIKeyZAIMWXXLOXWUFM-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid

1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 53212337) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID53212337
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccncc2)c2cc(C(=O)O)sc21
InChIInChI=1S/C12H9N3O2S/c1-15-11-8(6-9(18-11)12(16)17)10(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H,16,17)
InChIKeyZAIMWXXLOXWUFM-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498
3-phenyl-1-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 61264145
3-tert-butyl-1-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43543129
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 146045900
1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CID 82184012
(4-acetylphenyl) 3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 46358457
3-(4-chlorophenyl)-N-(2,5-difluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53020534
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 20858249
4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
CID 71406990
(3aS,6aS)-5-(1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146039206
N-[3-(azepan-1-yl)propyl]-3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20858235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 53212337) is 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid is Cn1nc(-c2ccncc2)c2cc(C(=O)O)sc21.
What is the InChIKey of 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is ZAIMWXXLOXWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-15-11-8(6-9(18-11)12(16)17)10(14-15)7-2-4-13-5-3-7/h2-6H,1H3,(H,16,17).
What are the key properties of 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 53212337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).