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

C12H16N6O2 — CID 102802057

IUPAC1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H16N6O2/c1-7-8(6-18(2)17-7)10(19)14-12-16-15-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,14,16,19)
InChIKeyKNPFLISFTRPYQN-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.79
Rot. Bonds3

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

1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 102802057) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID102802057
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H16N6O2/c1-7-8(6-18(2)17-7)10(19)14-12-16-15-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,14,16,19)
InChIKeyKNPFLISFTRPYQN-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 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 102802057) is 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is KNPFLISFTRPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-8(6-18(2)17-7)10(19)14-12-16-15-11(20-12)9-4-3-5-13-9/h6,9,13H,3-5H2,1-2H3,(H,14,16,19).
What are the key properties of 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
1,3-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 1,3-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102802057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).