1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine

C20H30N6O2S — CID 9280783

IUPAC1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine
SMILESCc1nn(CN2CCN(c3ccncc3)CC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H30N6O2S/c1-17-20(29(27,28)25-10-4-3-5-11-25)18(2)26(22-17)16-23-12-14-24(15-13-23)19-6-8-21-9-7-19/h6-9H,3-5,10-16H2,1-2H3
InChIKeyCRGLWEKNBOFQPZ-UHFFFAOYSA-N
MW418.57 g/mol
LogP1.85
Rot. Bonds5

About 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine

1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine (PubChem CID 9280783) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine
PubChem CID9280783
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC Name1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine
SMILESCc1nn(CN2CCN(c3ccncc3)CC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H30N6O2S/c1-17-20(29(27,28)25-10-4-3-5-11-25)18(2)26(22-17)16-23-12-14-24(15-13-23)19-6-8-21-9-7-19/h6-9H,3-5,10-16H2,1-2H3
InChIKeyCRGLWEKNBOFQPZ-UHFFFAOYSA-N
XLogP1.85
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 9193605
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
CID 9193193
cyclopropyl-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285907
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 55733208
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 71997545
1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
CID 53076060
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine (CID 9280783) is 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine is Cc1nn(CN2CCN(c3ccncc3)CC2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine?
The InChIKey is CRGLWEKNBOFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-17-20(29(27,28)25-10-4-3-5-11-25)18(2)26(22-17)16-23-12-14-24(15-13-23)19-6-8-21-9-7-19/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine?
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine has a molecular weight of 418.57 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 9280783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).