N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C15H27N3O3S — CID 75477034

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C15H27N3O3S/c1-10(2)8-18-12(4)15(11(3)16-18)22(20,21)17(5)9-14(19)13-6-7-13/h10,13-14,19H,6-9H2,1-5H3
InChIKeyGBLHQECRGXGUIY-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.55
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 75477034) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID75477034
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C15H27N3O3S/c1-10(2)8-18-12(4)15(11(3)16-18)22(20,21)17(5)9-14(19)13-6-7-13/h10,13-14,19H,6-9H2,1-5H3
InChIKeyGBLHQECRGXGUIY-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 75477034) is N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is GBLHQECRGXGUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-10(2)8-18-12(4)15(11(3)16-18)22(20,21)17(5)9-14(19)13-6-7-13/h10,13-14,19H,6-9H2,1-5H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75477034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).