1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid

C9H8N2O2S — CID 7537648

IUPAC1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cccs1
InChIInChI=1S/C9H8N2O2S/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyURCWVEMABYSGJA-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.85
Rot. Bonds2

About 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid

1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid (PubChem CID 7537648) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
PubChem CID7537648
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cccs1
InChIInChI=1S/C9H8N2O2S/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyURCWVEMABYSGJA-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid (CID 7537648) is 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cccs1.
What is the InChIKey of 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
The InChIKey is URCWVEMABYSGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid?
1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 7537648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).