1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone

C18H24N4O3S — CID 42346797

IUPAC1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-14(2)22-13-17(18(19-22)16-7-5-4-6-8-16)26(24,25)21-11-9-20(10-12-21)15(3)23/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGJGOGWHOXYIXPI-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 42346797) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID42346797
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-14(2)22-13-17(18(19-22)16-7-5-4-6-8-16)26(24,25)21-11-9-20(10-12-21)15(3)23/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGJGOGWHOXYIXPI-UHFFFAOYSA-N
XLogP1.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
CID 42285551
3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 42347063
3-(4-acetylpiperazin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106545073
(2-methoxyphenyl)-[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 92566809
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone (CID 42346797) is 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is GJGOGWHOXYIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14(2)22-13-17(18(19-22)16-7-5-4-6-8-16)26(24,25)21-11-9-20(10-12-21)15(3)23/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 376.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 42346797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).