1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid

C14H15ClN4O2 — CID 71564714

IUPAC1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Cl)cc2)c1N1CCNCC1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(12(9-17-19)14(20)21)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2,(H,20,21)
InChIKeyGCKDBRJVKQXZLG-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid

1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid (PubChem CID 71564714) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid
PubChem CID71564714
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(Cl)cc2)c1N1CCNCC1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(12(9-17-19)14(20)21)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2,(H,20,21)
InChIKeyGCKDBRJVKQXZLG-UHFFFAOYSA-N
XLogP1.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210435
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995131
2-(4-chlorophenoxy)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;hydrochloride
CID 119494378
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995130
5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
CID 173176420
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20918581
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid (CID 71564714) is 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(Cl)cc2)c1N1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid?
The InChIKey is GCKDBRJVKQXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(12(9-17-19)14(20)21)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid?
1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 71564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).