6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid

C14H12N2O3S — CID 23269813

IUPAC6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2c1C=C(C(=O)O)C(O)S2
InChIInChI=1S/C14H12N2O3S/c1-8-10-7-11(13(17)18)14(19)20-12(10)16(15-8)9-5-3-2-4-6-9/h2-7,14,19H,1H3,(H,17,18)
InChIKeyCUDOTFPUGCMJSS-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.07
Rot. Bonds2

About 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid

6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 23269813) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid
PubChem CID23269813
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2c1C=C(C(=O)O)C(O)S2
InChIInChI=1S/C14H12N2O3S/c1-8-10-7-11(13(17)18)14(19)20-12(10)16(15-8)9-5-3-2-4-6-9/h2-7,14,19H,1H3,(H,17,18)
InChIKeyCUDOTFPUGCMJSS-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid 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

4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid (CID 23269813) is 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(-c2ccccc2)c2c1C=C(C(=O)O)C(O)S2.
What is the InChIKey of 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is CUDOTFPUGCMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-10-7-11(13(17)18)14(19)20-12(10)16(15-8)9-5-3-2-4-6-9/h2-7,14,19H,1H3,(H,17,18).
What are the key properties of 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid?
6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-1-phenyl-6H-thiopyrano[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 23269813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).