N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H23N5O3S — CID 71783845

IUPACN-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-15(23)19-16-3-5-17(6-4-16)26(24,25)22-13-10-20(11-14-22)9-12-21-8-2-7-18-21/h2-8H,9-14H2,1H3,(H,19,23)
InChIKeyPJBYYNVHQMRHKO-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.85
Rot. Bonds6

About N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 71783845) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID71783845
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-15(23)19-16-3-5-17(6-4-16)26(24,25)22-13-10-20(11-14-22)9-12-21-8-2-7-18-21/h2-8H,9-14H2,1H3,(H,19,23)
InChIKeyPJBYYNVHQMRHKO-UHFFFAOYSA-N
XLogP0.85
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
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N-[4-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]acetamide
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7-(1-Cyclopropylpyrazol-4-yl)-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
CID 164625313
N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 1091854
2,2,2-trifluoro-N-(4-{[(1-methyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2808730
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 71783845) is N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is PJBYYNVHQMRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-15(23)19-16-3-5-17(6-4-16)26(24,25)22-13-10-20(11-14-22)9-12-21-8-2-7-18-21/h2-8H,9-14H2,1H3,(H,19,23).
What are the key properties of N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 71783845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).