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

C12H18N4O4S — CID 106377900

IUPAC1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)nn(CCO)c2C)o1
InChIInChI=1S/C12H18N4O4S/c1-8-6-13-11(20-8)7-14-21(18,19)12-9(2)15-16(4-5-17)10(12)3/h6,14,17H,4-5,7H2,1-3H3
InChIKeyANCRDTQYYWCSAC-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.27
Rot. Bonds6

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

1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 106377900) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID106377900
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2c(C)nn(CCO)c2C)o1
InChIInChI=1S/C12H18N4O4S/c1-8-6-13-11(20-8)7-14-21(18,19)12-9(2)15-16(4-5-17)10(12)3/h6,14,17H,4-5,7H2,1-3H3
InChIKeyANCRDTQYYWCSAC-UHFFFAOYSA-N
XLogP0.27
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide (CID 106377900) is 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide is Cc1cnc(CNS(=O)(=O)c2c(C)nn(CCO)c2C)o1.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ANCRDTQYYWCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8-6-13-11(20-8)7-14-21(18,19)12-9(2)15-16(4-5-17)10(12)3/h6,14,17H,4-5,7H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106377900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).