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

C9H12N4O3S — CID 47959042

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)5-12-17(14,15)8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeySMBISHCLOHGVTC-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.49
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47959042) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47959042
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)5-12-17(14,15)8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11)
InChIKeySMBISHCLOHGVTC-UHFFFAOYSA-N
XLogP0.49
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 47959042) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SMBISHCLOHGVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-6-9(7(2)16-13-6)5-12-17(14,15)8-3-10-11-4-8/h3-4,12H,5H2,1-2H3,(H,10,11).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47959042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).