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

C14H19N5O2S — CID 3242905

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5O2S/c1-11-14(12(2)17-16-11)22(20,21)19-9-7-18(8-10-19)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyMOHCGZJGOWNSIV-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.93
Rot. Bonds3

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine (PubChem CID 3242905) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine
PubChem CID3242905
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5O2S/c1-11-14(12(2)17-16-11)22(20,21)19-9-7-18(8-10-19)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyMOHCGZJGOWNSIV-UHFFFAOYSA-N
XLogP0.93
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine (CID 3242905) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MOHCGZJGOWNSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-14(12(2)17-16-11)22(20,21)19-9-7-18(8-10-19)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine has a molecular weight of 321.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 3242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).