N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide

C10H15N5O3S — CID 131919733

IUPACN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ncon2)cn1
InChIInChI=1S/C10H15N5O3S/c1-3-4-15-6-9(5-12-15)19(16,17)14(2)7-10-11-8-18-13-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYAVWEJDEDBXBKJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.50
Rot. Bonds6

About N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide

N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 131919733) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID131919733
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ncon2)cn1
InChIInChI=1S/C10H15N5O3S/c1-3-4-15-6-9(5-12-15)19(16,17)14(2)7-10-11-8-18-13-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyYAVWEJDEDBXBKJ-UHFFFAOYSA-N
XLogP0.50
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide (CID 131919733) is N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2ncon2)cn1.
What is the InChIKey of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is YAVWEJDEDBXBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-3-4-15-6-9(5-12-15)19(16,17)14(2)7-10-11-8-18-13-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide?
N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 131919733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).