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

C13H17N5O2 — CID 118762299

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2nc(C3CC3)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19)
InChIKeyZVDREXCITGKKTL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds5

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

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 118762299) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID118762299
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2nc(C3CC3)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19)
InChIKeyZVDREXCITGKKTL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide (CID 118762299) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)c2nc(C3CC3)no2)cn1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is ZVDREXCITGKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-18-7-10(6-14-18)12(19)15-8(2)13-16-11(17-20-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,19).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 118762299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).