1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

C13H9ClN2O2S — CID 2314951

IUPAC1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18)
InChIKeyRBMBWNXBCRAGPO-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.75
Rot. Bonds2

About 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 2314951) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID2314951
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18)
InChIKeyRBMBWNXBCRAGPO-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 2314951) is 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is RBMBWNXBCRAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 2314951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).