1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

C20H32N4O2S — CID 22202160

IUPAC1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1C
InChIInChI=1S/C20H32N4O2S/c1-3-24-14(2)19(13-21-24)27(25,26)23-6-4-22(5-7-23)20-17-9-15-8-16(11-17)12-18(20)10-15/h13,15-18,20H,3-12H2,1-2H3
InChIKeyYFLOCKHRMFKZPH-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.34
Rot. Bonds4

About 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22202160) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22202160
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Name1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1ncc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1C
InChIInChI=1S/C20H32N4O2S/c1-3-24-14(2)19(13-21-24)27(25,26)23-6-4-22(5-7-23)20-17-9-15-8-16(11-17)12-18(20)10-15/h13,15-18,20H,3-12H2,1-2H3
InChIKeyYFLOCKHRMFKZPH-UHFFFAOYSA-N
XLogP2.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1-(2-adamantyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22202157
1-(5-bromothiophen-2-yl)sulfonyl-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 19684967
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
CID 72850934
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056
1-(2-adamantyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 22202118
1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 22202123
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(2-adamantyl)-4-ethylpiperazine
CID 783904
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (CID 22202160) is 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is CCn1ncc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1C.
What is the InChIKey of 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is YFLOCKHRMFKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-3-24-14(2)19(13-21-24)27(25,26)23-6-4-22(5-7-23)20-17-9-15-8-16(11-17)12-18(20)10-15/h13,15-18,20H,3-12H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 392.57 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22202160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).