N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C12H19N3O3S — CID 54877023

IUPACN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C12H19N3O3S/c1-9-12(6-13-14-9)19(16,17)15(11-2-3-11)7-10-4-5-18-8-10/h6,10-11H,2-5,7-8H2,1H3,(H,13,14)
InChIKeySVEHZWYTSYLJFO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.91
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877023) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877023
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C12H19N3O3S/c1-9-12(6-13-14-9)19(16,17)15(11-2-3-11)7-10-4-5-18-8-10/h6,10-11H,2-5,7-8H2,1H3,(H,13,14)
InChIKeySVEHZWYTSYLJFO-UHFFFAOYSA-N
XLogP0.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 54877023) is N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SVEHZWYTSYLJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-12(6-13-14-9)19(16,17)15(11-2-3-11)7-10-4-5-18-8-10/h6,10-11H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).