1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

C10H17N3O2S — CID 95829678

IUPAC1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCN1CCC(c2[nH]ncc2S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O2S/c1-13-5-3-8(4-6-13)10-9(7-11-12-10)16(2,14)15/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHABWZIHRTAZFQZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.62
Rot. Bonds2

About 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine

1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (PubChem CID 95829678) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
PubChem CID95829678
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
SMILESCN1CCC(c2[nH]ncc2S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O2S/c1-13-5-3-8(4-6-13)10-9(7-11-12-10)16(2,14)15/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHABWZIHRTAZFQZ-UHFFFAOYSA-N
XLogP0.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine (CID 95829678) is 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is CN1CCC(c2[nH]ncc2S(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is HABWZIHRTAZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13-5-3-8(4-6-13)10-9(7-11-12-10)16(2,14)15/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine?
1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95829678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).