N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide

C17H21N5O3S — CID 163308825

IUPACN-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCCCn1nc(N(Cc2noc(-c3ccccc3)n2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H21N5O3S/c1-4-10-21-13(2)11-16(19-21)22(26(3,23)24)12-15-18-17(25-20-15)14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3
InChIKeyPTUJRERHIGOZSU-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.62
Rot. Bonds7

About N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide

N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (PubChem CID 163308825) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
PubChem CID163308825
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCCCn1nc(N(Cc2noc(-c3ccccc3)n2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H21N5O3S/c1-4-10-21-13(2)11-16(19-21)22(26(3,23)24)12-15-18-17(25-20-15)14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3
InChIKeyPTUJRERHIGOZSU-UHFFFAOYSA-N
XLogP2.62
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (CID 163308825) is N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is CCCn1nc(N(Cc2noc(-c3ccccc3)n2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The InChIKey is PTUJRERHIGOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-4-10-21-13(2)11-16(19-21)22(26(3,23)24)12-15-18-17(25-20-15)14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3.
What are the key properties of N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-propylpyrazol-3-yl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 163308825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).