1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

C21H26N4O2S — CID 22208056

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1C
InChIInChI=1S/C21H26N4O2S/c1-3-25-17(2)21(15-22-25)28(26,27)24-13-11-23(12-14-24)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyZJKNSIZVUCTPMQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.87
Rot. Bonds5

About 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 22208056) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID22208056
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1C
InChIInChI=1S/C21H26N4O2S/c1-3-25-17(2)21(15-22-25)28(26,27)24-13-11-23(12-14-24)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyZJKNSIZVUCTPMQ-UHFFFAOYSA-N
XLogP2.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 22208364
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 19684967
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
CID 46837185

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine (CID 22208056) is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine is CCn1ncc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is ZJKNSIZVUCTPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-3-25-17(2)21(15-22-25)28(26,27)24-13-11-23(12-14-24)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine?
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 398.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 22208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).