N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide

C13H24N4O2S — CID 131935320

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H24N4O2S/c1-4-8-17-13(5-7-14-17)20(18,19)16(3)11-12-6-9-15(2)10-12/h5,7,12H,4,6,8-11H2,1-3H3
InChIKeyBJGRQYKXODIUHQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.87
Rot. Bonds6

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide (PubChem CID 131935320) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
PubChem CID131935320
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H24N4O2S/c1-4-8-17-13(5-7-14-17)20(18,19)16(3)11-12-6-9-15(2)10-12/h5,7,12H,4,6,8-11H2,1-3H3
InChIKeyBJGRQYKXODIUHQ-UHFFFAOYSA-N
XLogP0.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide (CID 131935320) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide?
The InChIKey is BJGRQYKXODIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-8-17-13(5-7-14-17)20(18,19)16(3)11-12-6-9-15(2)10-12/h5,7,12H,4,6,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 131935320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).