1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid

C13H10N2O2S — CID 2764166

IUPAC1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccccc2)c2cc(C(=O)O)sc21
InChIInChI=1S/C13H10N2O2S/c1-15-12-9(7-10(18-12)13(16)17)11(14-15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)
InChIKeyBVZJRZIDTOEFJF-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.00
Rot. Bonds2

About 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid

1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 2764166) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID2764166
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccccc2)c2cc(C(=O)O)sc21
InChIInChI=1S/C13H10N2O2S/c1-15-12-9(7-10(18-12)13(16)17)11(14-15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)
InChIKeyBVZJRZIDTOEFJF-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2776541
Methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 652252
ethyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 678008
3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 802154
1-(4-fluorophenyl)-3-methyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 2329100
1-Methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2775691
methyl 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 2807378
5-(4-Methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid
CID 59179237
1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2314951
1-Benzyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2363686
1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 4985598
3-Methyl-1-(4-methylphenyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CID 674051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 2764166) is 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid is Cn1nc(-c2ccccc2)c2cc(C(=O)O)sc21.
What is the InChIKey of 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is BVZJRZIDTOEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-12-9(7-10(18-12)13(16)17)11(14-15)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 2764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).