1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide

C11H17N5O4S — CID 106410502

IUPAC1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C11H17N5O4S/c1-8-11(9(2)16(14-8)4-3-5-17)21(18,19)13-6-10-12-7-20-15-10/h7,13,17H,3-6H2,1-2H3
InChIKeyWRANWSOYMHKBGS-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.26
Rot. Bonds7

About 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide

1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106410502) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106410502
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCO)c(C)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C11H17N5O4S/c1-8-11(9(2)16(14-8)4-3-5-17)21(18,19)13-6-10-12-7-20-15-10/h7,13,17H,3-6H2,1-2H3
InChIKeyWRANWSOYMHKBGS-UHFFFAOYSA-N
XLogP-0.26
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106002480
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410953
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106051653
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122252847

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (CID 106410502) is 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(CCCO)c(C)c1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is WRANWSOYMHKBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-8-11(9(2)16(14-8)4-3-5-17)21(18,19)13-6-10-12-7-20-15-10/h7,13,17H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106410502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).