1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

C15H12N2O2S — CID 2769607

IUPAC1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C15H12N2O2S/c1-10-5-2-3-6-12(10)17-13(15(18)19)9-11(16-17)14-7-4-8-20-14/h2-9H,1H3,(H,18,19)
InChIKeyQQNIWGQOALEFAX-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.61
Rot. Bonds3

About 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid

1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (PubChem CID 2769607) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
PubChem CID2769607
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C15H12N2O2S/c1-10-5-2-3-6-12(10)17-13(15(18)19)9-11(16-17)14-7-4-8-20-14/h2-9H,1H3,(H,18,19)
InChIKeyQQNIWGQOALEFAX-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid (CID 2769607) is 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is Cc1ccccc1-n1nc(-c2cccs2)cc1C(=O)O.
What is the InChIKey of 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
The InChIKey is QQNIWGQOALEFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-5-2-3-6-12(10)17-13(15(18)19)9-11(16-17)14-7-4-8-20-14/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid?
1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 2769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).