5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid

C10H9ClN2O4S — CID 174409578

IUPAC5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.O=C(O)c1ccc(Cl)s1
InChIInChI=1S/C5H3ClO2S.C5H6N2O2/c6-4-2-1-3(9-4)5(7)8;1-3-2-4(5(8)9)7-6-3/h1-2H,(H,7,8);2H,1H3,(H,6,7)(H,8,9)
InChIKeyOCECCXLZTWUQFR-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.52
Rot. Bonds2

About 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid

5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 174409578) has the molecular formula C10H9ClN2O4S and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID174409578
Molecular FormulaC10H9ClN2O4S
Molecular Weight288.71 g/mol
Exact Mass288.00
IUPAC Name5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.O=C(O)c1ccc(Cl)s1
InChIInChI=1S/C5H3ClO2S.C5H6N2O2/c6-4-2-1-3(9-4)5(7)8;1-3-2-4(5(8)9)7-6-3/h1-2H,(H,7,8);2H,1H3,(H,6,7)(H,8,9)
InChIKeyOCECCXLZTWUQFR-UHFFFAOYSA-N
XLogP2.52
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid (CID 174409578) is 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n[nH]1.O=C(O)c1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is OCECCXLZTWUQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClO2S.C5H6N2O2/c6-4-2-1-3(9-4)5(7)8;1-3-2-4(5(8)9)7-6-3/h1-2H,(H,7,8);2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 288.71 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 174409578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).