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

C11H15N5O2 — CID 56826454

IUPAC2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C11H15N5O2/c1-4-16-9(5-7(2)14-16)11(17)12-6-10-13-8(3)15-18-10/h5H,4,6H2,1-3H3,(H,12,17)
InChIKeyVCBAVOKWTWDMOP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.83
Rot. Bonds4

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

2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 56826454) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID56826454
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C11H15N5O2/c1-4-16-9(5-7(2)14-16)11(17)12-6-10-13-8(3)15-18-10/h5H,4,6H2,1-3H3,(H,12,17)
InChIKeyVCBAVOKWTWDMOP-UHFFFAOYSA-N
XLogP0.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide (CID 56826454) is 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCc1nc(C)no1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is VCBAVOKWTWDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-16-9(5-7(2)14-16)11(17)12-6-10-13-8(3)15-18-10/h5H,4,6H2,1-3H3,(H,12,17).
What are the key properties of 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56826454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).