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

C13H17N5O2 — CID 91907215

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C3CC3)n2)nn1C
InChIInChI=1S/C13H17N5O2/c1-8-7-10(16-18(8)2)12(19)14-6-5-11-15-13(20-17-11)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,14,19)
InChIKeyYZJVLWWLUZQSNK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.96
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 91907215) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID91907215
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C3CC3)n2)nn1C
InChIInChI=1S/C13H17N5O2/c1-8-7-10(16-18(8)2)12(19)14-6-5-11-15-13(20-17-11)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,14,19)
InChIKeyYZJVLWWLUZQSNK-UHFFFAOYSA-N
XLogP0.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (CID 91907215) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2noc(C3CC3)n2)nn1C.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YZJVLWWLUZQSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-7-10(16-18(8)2)12(19)14-6-5-11-15-13(20-17-11)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,14,19).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).