3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide

C15H22N6O2S — CID 122299890

IUPAC3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-10-4-6-21(7-5-10)15-16-8-13(9-17-15)20-24(22,23)14-11(2)18-19-12(14)3/h8-10,20H,4-7H2,1-3H3,(H,18,19)
InChIKeyPHIIZILJRCPGGJ-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.85
Rot. Bonds4

About 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 122299890) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
PubChem CID122299890
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-10-4-6-21(7-5-10)15-16-8-13(9-17-15)20-24(22,23)14-11(2)18-19-12(14)3/h8-10,20H,4-7H2,1-3H3,(H,18,19)
InChIKeyPHIIZILJRCPGGJ-UHFFFAOYSA-N
XLogP1.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113024918
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
CID 122299894
3,5-dimethyl-N-[4-(3-methylpiperidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985603
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299919
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320326
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299921

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide (CID 122299890) is 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnc(N2CCC(C)CC2)nc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PHIIZILJRCPGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10-4-6-21(7-5-10)15-16-8-13(9-17-15)20-24(22,23)14-11(2)18-19-12(14)3/h8-10,20H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122299890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).