1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide

C17H24N4O3S — CID 132970219

IUPAC1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide
SMILESCC1CCC(Oc2cc(CNS(=O)(=O)c3cnn(C)c3)ccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-13-3-5-15(6-4-13)24-17-9-14(7-8-18-17)10-20-25(22,23)16-11-19-21(2)12-16/h7-9,11-13,15,20H,3-6,10H2,1-2H3
InChIKeyGMEDCWXUUYOJFU-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.25
Rot. Bonds6

About 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide

1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide (PubChem CID 132970219) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide
PubChem CID132970219
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide
SMILESCC1CCC(Oc2cc(CNS(=O)(=O)c3cnn(C)c3)ccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-13-3-5-15(6-4-13)24-17-9-14(7-8-18-17)10-20-25(22,23)16-11-19-21(2)12-16/h7-9,11-13,15,20H,3-6,10H2,1-2H3
InChIKeyGMEDCWXUUYOJFU-UHFFFAOYSA-N
XLogP2.25
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide (CID 132970219) is 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide is CC1CCC(Oc2cc(CNS(=O)(=O)c3cnn(C)c3)ccn2)CC1.
What is the InChIKey of 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is GMEDCWXUUYOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13-3-5-15(6-4-13)24-17-9-14(7-8-18-17)10-20-25(22,23)16-11-19-21(2)12-16/h7-9,11-13,15,20H,3-6,10H2,1-2H3.
What are the key properties of 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide?
1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 132970219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).