N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide

C13H21N5O3S — CID 122568640

IUPACN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2nc(CC(C)C)no2)cn1
InChIInChI=1S/C13H21N5O3S/c1-4-5-18-9-11(7-14-18)22(19,20)15-8-13-16-12(17-21-13)6-10(2)3/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyFWKOZMCYFQWSCG-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.35
Rot. Bonds8

About N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide

N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 122568640) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID122568640
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2nc(CC(C)C)no2)cn1
InChIInChI=1S/C13H21N5O3S/c1-4-5-18-9-11(7-14-18)22(19,20)15-8-13-16-12(17-21-13)6-10(2)3/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyFWKOZMCYFQWSCG-UHFFFAOYSA-N
XLogP1.35
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide (CID 122568640) is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCc2nc(CC(C)C)no2)cn1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is FWKOZMCYFQWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-4-5-18-9-11(7-14-18)22(19,20)15-8-13-16-12(17-21-13)6-10(2)3/h7,9-10,15H,4-6,8H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide?
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 122568640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).