3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid

C9H7ClN2O2S — CID 82293487

IUPAC3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1C(=O)O
InChIInChI=1S/C9H7ClN2O2S/c1-12-6(9(13)14)4-5(11-12)7-2-3-8(10)15-7/h2-4H,1H3,(H,13,14)
InChIKeyRTLQNGABEWGSEY-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.50
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid

3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 82293487) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID82293487
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ccc(Cl)s2)cc1C(=O)O
InChIInChI=1S/C9H7ClN2O2S/c1-12-6(9(13)14)4-5(11-12)7-2-3-8(10)15-7/h2-4H,1H3,(H,13,14)
InChIKeyRTLQNGABEWGSEY-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 82293487) is 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2ccc(Cl)s2)cc1C(=O)O.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is RTLQNGABEWGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-12-6(9(13)14)4-5(11-12)7-2-3-8(10)15-7/h2-4H,1H3,(H,13,14).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid?
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 242.69 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82293487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).