1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

C14H19N5O2S — CID 6470725

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5O2S/c1-12-13(11-17(2)16-12)22(20,21)19-9-7-18(8-10-19)14-5-3-4-6-15-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFZQXBGWRSPHLQV-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.63
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 6470725) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID6470725
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5O2S/c1-12-13(11-17(2)16-12)22(20,21)19-9-7-18(8-10-19)14-5-3-4-6-15-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFZQXBGWRSPHLQV-UHFFFAOYSA-N
XLogP0.63
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (CID 6470725) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is FZQXBGWRSPHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-12-13(11-17(2)16-12)22(20,21)19-9-7-18(8-10-19)14-5-3-4-6-15-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 321.41 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 6470725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).