3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C10H14N4O4S — CID 106377894

IUPAC3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1
InChIInChI=1S/C10H14N4O4S/c1-6-3-11-9(18-6)4-12-19(16,17)10-7(2)13-14-8(10)5-15/h3,12,15H,4-5H2,1-2H3,(H,13,14)
InChIKeyQAUXDLVYNBVOKI-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.01
Rot. Bonds5

About 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106377894) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106377894
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1
InChIInChI=1S/C10H14N4O4S/c1-6-3-11-9(18-6)4-12-19(16,17)10-7(2)13-14-8(10)5-15/h3,12,15H,4-5H2,1-2H3,(H,13,14)
InChIKeyQAUXDLVYNBVOKI-UHFFFAOYSA-N
XLogP-0.01
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 106377894) is 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QAUXDLVYNBVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-6-3-11-9(18-6)4-12-19(16,17)10-7(2)13-14-8(10)5-15/h3,12,15H,4-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 286.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106377894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).