1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid

C15H18N4O5S2 — CID 19506326

IUPAC1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccc(C(=O)O)n1
InChIInChI=1S/C15H18N4O5S2/c1-11(19-5-4-12(16-19)15(21)22)14(20)17-6-8-18(9-7-17)26(23,24)13-3-2-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyCVHZORVSQZAQHN-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.74
Rot. Bonds5

About 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid

1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19506326) has the molecular formula C15H18N4O5S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19506326
Molecular FormulaC15H18N4O5S2
Molecular Weight398.47 g/mol
Exact Mass398.07
IUPAC Name1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccc(C(=O)O)n1
InChIInChI=1S/C15H18N4O5S2/c1-11(19-5-4-12(16-19)15(21)22)14(20)17-6-8-18(9-7-17)26(23,24)13-3-2-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyCVHZORVSQZAQHN-UHFFFAOYSA-N
XLogP0.74
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylpyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 19536478
2-(4-bromopyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 19536526
1-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19502329
(3R)-3-methyl-5-oxo-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 40636083
imidazol-1-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9120724
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 98301626
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 7832332
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 8686697
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
CID 41229166
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155

Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid (CID 19506326) is 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid is CC(C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)n1ccc(C(=O)O)n1.
What is the InChIKey of 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is CVHZORVSQZAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S2/c1-11(19-5-4-12(16-19)15(21)22)14(20)17-6-8-18(9-7-17)26(23,24)13-3-2-10-25-13/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid?
1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 398.47 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).