4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine

C12H21N3O2S — CID 95841270

IUPAC4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2[nH]ncc2S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-6-4-10(5-7-15)12-11(8-13-14-12)18(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAGFUQMADIJPZJX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.40
Rot. Bonds3

About 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine

4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine (PubChem CID 95841270) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine
PubChem CID95841270
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2[nH]ncc2S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-6-4-10(5-7-15)12-11(8-13-14-12)18(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyAGFUQMADIJPZJX-UHFFFAOYSA-N
XLogP1.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine (CID 95841270) is 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2[nH]ncc2S(C)(=O)=O)CC1.
What is the InChIKey of 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine?
The InChIKey is AGFUQMADIJPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)15-6-4-10(5-7-15)12-11(8-13-14-12)18(3,16)17/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine?
4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine has a molecular weight of 271.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 95841270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).