1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid

C20H18ClN3O3 — CID 2472087

IUPAC1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O3/c21-16-3-1-2-4-18(16)24-19(20(25)26)13-17(22-24)14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,25,26)
InChIKeyBRISCFLSNXTYAQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid

1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid (PubChem CID 2472087) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
PubChem CID2472087
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H18ClN3O3/c21-16-3-1-2-4-18(16)24-19(20(25)26)13-17(22-24)14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,25,26)
InChIKeyBRISCFLSNXTYAQ-UHFFFAOYSA-N
XLogP3.73
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid (CID 2472087) is 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is BRISCFLSNXTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-3-1-2-4-18(16)24-19(20(25)26)13-17(22-24)14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,25,26).
What are the key properties of 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid?
1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 383.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 2472087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).