N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C11H19N3O2S — CID 52601312

IUPACN-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeySHLCNMOAEZIUIG-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.23
Rot. Bonds5

About N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 52601312) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID52601312
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeySHLCNMOAEZIUIG-UHFFFAOYSA-N
XLogP1.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 52601312) is N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is SHLCNMOAEZIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)7-14(10-4-5-10)17(15,16)11-6-12-13(3)8-11/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 52601312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).