N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C12H19N3O4S — CID 106001915

IUPACN-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NC2CCOC2C2CC2)c1CO
InChIInChI=1S/C12H19N3O4S/c1-7-9(6-16)12(14-13-7)20(17,18)15-10-4-5-19-11(10)8-2-3-8/h8,10-11,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyRNGRDRMRELUHNJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.06
Rot. Bonds5

About N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106001915) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106001915
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NC2CCOC2C2CC2)c1CO
InChIInChI=1S/C12H19N3O4S/c1-7-9(6-16)12(14-13-7)20(17,18)15-10-4-5-19-11(10)8-2-3-8/h8,10-11,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyRNGRDRMRELUHNJ-UHFFFAOYSA-N
XLogP0.06
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106001915) is N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NC2CCOC2C2CC2)c1CO.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is RNGRDRMRELUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-7-9(6-16)12(14-13-7)20(17,18)15-10-4-5-19-11(10)8-2-3-8/h8,10-11,15-16H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106001915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).