1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine

C19H27N3O2S — CID 42284583

IUPAC1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1
InChIInChI=1S/C19H27N3O2S/c1-15-10-12-21(13-11-15)25(23,24)17-14-22(16-8-6-5-7-9-16)20-18(17)19(2,3)4/h5-9,14-15H,10-13H2,1-4H3
InChIKeySTTLWLDTIGNQJW-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine (PubChem CID 42284583) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
PubChem CID42284583
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1
InChIInChI=1S/C19H27N3O2S/c1-15-10-12-21(13-11-15)25(23,24)17-14-22(16-8-6-5-7-9-16)20-18(17)19(2,3)4/h5-9,14-15H,10-13H2,1-4H3
InChIKeySTTLWLDTIGNQJW-UHFFFAOYSA-N
XLogP3.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42284589
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 42284613
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 100829075
3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine (CID 42284583) is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
The InChIKey is STTLWLDTIGNQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-15-10-12-21(13-11-15)25(23,24)17-14-22(16-8-6-5-7-9-16)20-18(17)19(2,3)4/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine?
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine has a molecular weight of 361.51 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 42284583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).