4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one

C14H15N3O3S — CID 140973954

IUPAC4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one
SMILESO=C1N=NC=C1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H15N3O3S/c18-14-13(10-15-16-14)11-4-6-12(7-5-11)21(19,20)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyPDHUNAQNSFEIEA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one

4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one (PubChem CID 140973954) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one
PubChem CID140973954
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one
SMILESO=C1N=NC=C1c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H15N3O3S/c18-14-13(10-15-16-14)11-4-6-12(7-5-11)21(19,20)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyPDHUNAQNSFEIEA-UHFFFAOYSA-N
XLogP2.19
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
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CID 859979
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione
CID 53222473
4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 1433317
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
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CID 981056

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one?
The IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one (CID 140973954) is 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one is O=C1N=NC=C1c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one?
The InChIKey is PDHUNAQNSFEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14-13(10-15-16-14)11-4-6-12(7-5-11)21(19,20)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2.
What are the key properties of 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one?
4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one has a molecular weight of 305.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one is sourced from PubChem (CID 140973954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).