4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine

C13H23N3O2S — CID 130312588

IUPAC4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cc(C)c(C)n2)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-19(17,18)16-7-5-13(6-8-16)10-15-9-11(2)12(3)14-15/h9,13H,4-8,10H2,1-3H3
InChIKeyKBDNEVPQJCHZBH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.56
Rot. Bonds4

About 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine

4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine (PubChem CID 130312588) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
PubChem CID130312588
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cc(C)c(C)n2)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-19(17,18)16-7-5-13(6-8-16)10-15-9-11(2)12(3)14-15/h9,13H,4-8,10H2,1-3H3
InChIKeyKBDNEVPQJCHZBH-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
CID 28767502
1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride
CID 119030760
1-ethyl-3,4-dimethylpyrazole
CID 23556587
1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid
CID 130543784
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
1-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 118171327
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
1-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyrazol-3-amine
CID 64569008
ethyl 1-(cyclopropylmethyl)-3-iodopyrazole-4-carboxylate
CID 153484158
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
(3S)-3-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1-methylazepan-2-one
CID 95832113

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine?
The IUPAC name of 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine (CID 130312588) is 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine.
What is the SMILES notation for 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine?
The canonical SMILES for 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine is CCS(=O)(=O)N1CCC(Cn2cc(C)c(C)n2)CC1.
What is the InChIKey of 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine?
The InChIKey is KBDNEVPQJCHZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-19(17,18)16-7-5-13(6-8-16)10-15-9-11(2)12(3)14-15/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine?
4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine has a molecular weight of 285.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine is sourced from PubChem (CID 130312588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).