3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H18N4O3S — CID 110737156

IUPAC3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(C)C1
InChIInChI=1S/C11H18N4O3S/c1-7-11(8(2)14-13-7)19(17,18)12-5-9-4-10(16)15(3)6-9/h9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyVYJHKROLUSBKJM-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.22
Rot. Bonds4

About 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110737156) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID110737156
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(C)C1
InChIInChI=1S/C11H18N4O3S/c1-7-11(8(2)14-13-7)19(17,18)12-5-9-4-10(16)15(3)6-9/h9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyVYJHKROLUSBKJM-UHFFFAOYSA-N
XLogP-0.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 110737156) is 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1CC(=O)N(C)C1.
What is the InChIKey of 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VYJHKROLUSBKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-11(8(2)14-13-7)19(17,18)12-5-9-4-10(16)15(3)6-9/h9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110737156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).