(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C20H22N4O3S — CID 60527755

IUPAC(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1C
InChIInChI=1S/C20H22N4O3S/c1-15-13-19(21-22(15)2)20(25)23-9-11-24(12-10-23)28(26,27)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMWIWLURTBGYTAT-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.03
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 60527755) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID60527755
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1C
InChIInChI=1S/C20H22N4O3S/c1-15-13-19(21-22(15)2)20(25)23-9-11-24(12-10-23)28(26,27)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMWIWLURTBGYTAT-UHFFFAOYSA-N
XLogP2.03
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623
(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 33240685
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 7535266
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
(2-chloro-4-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 32694457
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 60527755) is (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MWIWLURTBGYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-13-19(21-22(15)2)20(25)23-9-11-24(12-10-23)28(26,27)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 398.49 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 60527755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).