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

C13H18N6O2S — CID 2683573

IUPAC2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6O2S/c1-10-12(11(2)17-16-10)22(20,21)19-8-6-18(7-9-19)13-14-4-3-5-15-13/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyJQMWSOGHISEYIX-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.33
Rot. Bonds3

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

2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine (PubChem CID 2683573) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine
PubChem CID2683573
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6O2S/c1-10-12(11(2)17-16-10)22(20,21)19-8-6-18(7-9-19)13-14-4-3-5-15-13/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyJQMWSOGHISEYIX-UHFFFAOYSA-N
XLogP0.33
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine (CID 2683573) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine?
The InChIKey is JQMWSOGHISEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-10-12(11(2)17-16-10)22(20,21)19-8-6-18(7-9-19)13-14-4-3-5-15-13/h3-5H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine has a molecular weight of 322.39 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2683573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).