1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

C16H24N6O2S — CID 71806273

IUPAC1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-12-15(13(2)21(3)20-12)25(23,24)19-11-14-5-9-22(10-6-14)16-17-7-4-8-18-16/h4,7-8,14,19H,5-6,9-11H2,1-3H3
InChIKeyGZXZETHREQZGTN-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.02
Rot. Bonds5

About 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71806273) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71806273
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N6O2S/c1-12-15(13(2)21(3)20-12)25(23,24)19-11-14-5-9-22(10-6-14)16-17-7-4-8-18-16/h4,7-8,14,19H,5-6,9-11H2,1-3H3
InChIKeyGZXZETHREQZGTN-UHFFFAOYSA-N
XLogP1.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (CID 71806273) is 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is GZXZETHREQZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12-15(13(2)21(3)20-12)25(23,24)19-11-14-5-9-22(10-6-14)16-17-7-4-8-18-16/h4,7-8,14,19H,5-6,9-11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).