N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide

C13H23N3O3S — CID 75477107

IUPACN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-8(2)7-16-11(6)12(10(5)14-16)20(18,19)15-13(17)9(3)4/h8-9H,7H2,1-6H3,(H,15,17)
InChIKeySAYXKUURULPAMH-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.62
Rot. Bonds5

About N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide

N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide (PubChem CID 75477107) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide
PubChem CID75477107
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-8(2)7-16-11(6)12(10(5)14-16)20(18,19)15-13(17)9(3)4/h8-9H,7H2,1-6H3,(H,15,17)
InChIKeySAYXKUURULPAMH-UHFFFAOYSA-N
XLogP1.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide (CID 75477107) is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide?
The InChIKey is SAYXKUURULPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-8(2)7-16-11(6)12(10(5)14-16)20(18,19)15-13(17)9(3)4/h8-9H,7H2,1-6H3,(H,15,17).
What are the key properties of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide?
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-methylpropanamide is sourced from PubChem (CID 75477107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).