1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid

C15H10Cl2N2O2S — CID 11523209

IUPAC1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Cl)cs1
InChIInChI=1S/C15H10Cl2N2O2S/c1-8-13(15(20)21)18-19(11-4-2-9(16)3-5-11)14(8)12-6-10(17)7-22-12/h2-7H,1H3,(H,20,21)
InChIKeyWNAYQPULIZBFNB-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.91
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid

1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 11523209) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid
PubChem CID11523209
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Cl)cs1
InChIInChI=1S/C15H10Cl2N2O2S/c1-8-13(15(20)21)18-19(11-4-2-9(16)3-5-11)14(8)12-6-10(17)7-22-12/h2-7H,1H3,(H,20,21)
InChIKeyWNAYQPULIZBFNB-UHFFFAOYSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid (CID 11523209) is 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is WNAYQPULIZBFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c1-8-13(15(20)21)18-19(11-4-2-9(16)3-5-11)14(8)12-6-10(17)7-22-12/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid?
1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 353.23 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-chlorothiophen-2-yl)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 11523209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).