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

C13H18N6O2 — CID 102811085

IUPAC3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H18N6O2/c1-3-9-8(7-19(2)18-9)11(20)15-13-17-16-12(21-13)10-5-4-6-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,17,20)
InChIKeyPPSLMLWJVIPQSZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.04
Rot. Bonds4

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

3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 102811085) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID102811085
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H18N6O2/c1-3-9-8(7-19(2)18-9)11(20)15-13-17-16-12(21-13)10-5-4-6-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,17,20)
InChIKeyPPSLMLWJVIPQSZ-UHFFFAOYSA-N
XLogP1.04
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 102811085) is 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is PPSLMLWJVIPQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-9-8(7-19(2)18-9)11(20)15-13-17-16-12(21-13)10-5-4-6-14-10/h7,10,14H,3-6H2,1-2H3,(H,15,17,20).
What are the key properties of 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102811085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).