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

C12H16N6O2 — CID 102703278

IUPAC1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C3CCCN3)o2)cnn1C
InChIInChI=1S/C12H16N6O2/c1-7-8(6-14-18(7)2)10(19)15-12-17-16-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,15,17,19)
InChIKeyRMMQXKNAAPYVDE-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.79
Rot. Bonds3

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

1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 102703278) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID102703278
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C3CCCN3)o2)cnn1C
InChIInChI=1S/C12H16N6O2/c1-7-8(6-14-18(7)2)10(19)15-12-17-16-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,15,17,19)
InChIKeyRMMQXKNAAPYVDE-UHFFFAOYSA-N
XLogP0.79
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 102703278) is 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2nnc(C3CCCN3)o2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is RMMQXKNAAPYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-8(6-14-18(7)2)10(19)15-12-17-16-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,15,17,19).
What are the key properties of 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102703278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).