1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine

C18H25N3O2S — CID 42284578

IUPAC1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-16(24(22,23)20-12-8-5-9-13-20)14-21(19-17)15-10-6-4-7-11-15/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyNADDSUUBKXXLOP-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.34
Rot. Bonds3

About 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 42284578) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
PubChem CID42284578
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)17-16(24(22,23)20-12-8-5-9-13-20)14-21(19-17)15-10-6-4-7-11-15/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKeyNADDSUUBKXXLOP-UHFFFAOYSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 42284613
ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42284589
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
1-(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylazepane
CID 42283445
1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane
CID 42283730
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine (CID 42284578) is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine is CC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is NADDSUUBKXXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-18(2,3)17-16(24(22,23)20-12-8-5-9-13-20)14-21(19-17)15-10-6-4-7-11-15/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine?
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 347.48 g/mol, XLogP of 3.34, 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)sulfonylpiperidine is sourced from PubChem (CID 42284578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).