2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

C15H15N5O4S — CID 43977881

IUPAC2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nnc(-c2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C15H15N5O4S/c1-3-20-12(7-8-16-20)13(21)17-15-19-18-14(24-15)10-5-4-6-11(9-10)25(2,22)23/h4-9H,3H2,1-2H3,(H,17,19,21)
InChIKeyJEYRFNXABIZJJU-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.61
Rot. Bonds5

About 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 43977881) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID43977881
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC Name2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nnc(-c2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C15H15N5O4S/c1-3-20-12(7-8-16-20)13(21)17-15-19-18-14(24-15)10-5-4-6-11(9-10)25(2,22)23/h4-9H,3H2,1-2H3,(H,17,19,21)
InChIKeyJEYRFNXABIZJJU-UHFFFAOYSA-N
XLogP1.61
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43976308
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977226
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (CID 43977881) is 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1nnc(-c2cccc(S(C)(=O)=O)c2)o1.
What is the InChIKey of 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is JEYRFNXABIZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-3-20-12(7-8-16-20)13(21)17-15-19-18-14(24-15)10-5-4-6-11(9-10)25(2,22)23/h4-9H,3H2,1-2H3,(H,17,19,21).
What are the key properties of 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 43977881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).