1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide

C14H20N4O2S — CID 126829839

IUPAC1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccn1
InChIInChI=1S/C14H20N4O2S/c1-5-12(13-8-6-7-9-15-13)17-21(19,20)14-10(2)16-18(4)11(14)3/h6-9,12,17H,5H2,1-4H3/t12-/m1/s1
InChIKeyNIPJUGKNXKSJPH-GFCCVEGCSA-N
MW308.41 g/mol
LogP1.86
Rot. Bonds5

About 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide (PubChem CID 126829839) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide
PubChem CID126829839
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccn1
InChIInChI=1S/C14H20N4O2S/c1-5-12(13-8-6-7-9-15-13)17-21(19,20)14-10(2)16-18(4)11(14)3/h6-9,12,17H,5H2,1-4H3/t12-/m1/s1
InChIKeyNIPJUGKNXKSJPH-GFCCVEGCSA-N
XLogP1.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide (CID 126829839) is 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide is CC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccn1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide?
The InChIKey is NIPJUGKNXKSJPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-12(13-8-6-7-9-15-13)17-21(19,20)14-10(2)16-18(4)11(14)3/h6-9,12,17H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 126829839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).