1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine

C13H19N5O2S — CID 110725900

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C13H19N5O2S/c1-9-12(10(2)17-16-9)21(19,20)18-7-3-11(4-8-18)13-14-5-6-15-13/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVHFOANQJZHCRCJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.32
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine (PubChem CID 110725900) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
PubChem CID110725900
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C13H19N5O2S/c1-9-12(10(2)17-16-9)21(19,20)18-7-3-11(4-8-18)13-14-5-6-15-13/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVHFOANQJZHCRCJ-UHFFFAOYSA-N
XLogP1.32
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine (CID 110725900) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is VHFOANQJZHCRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-12(10(2)17-16-9)21(19,20)18-7-3-11(4-8-18)13-14-5-6-15-13/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine has a molecular weight of 309.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 110725900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).