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

C11H14N6O2 — CID 102703238

IUPAC1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(C3CCCN3)o2)cn1
InChIInChI=1S/C11H14N6O2/c1-17-6-7(5-13-17)9(18)14-11-16-15-10(19-11)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3,(H,14,16,18)
InChIKeyJSCVRLGXDBXGHD-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.48
Rot. Bonds3

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

1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 102703238) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID102703238
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(C3CCCN3)o2)cn1
InChIInChI=1S/C11H14N6O2/c1-17-6-7(5-13-17)9(18)14-11-16-15-10(19-11)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3,(H,14,16,18)
InChIKeyJSCVRLGXDBXGHD-UHFFFAOYSA-N
XLogP0.48
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 102703238) is 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nnc(C3CCCN3)o2)cn1.
What is the InChIKey of 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is JSCVRLGXDBXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-17-6-7(5-13-17)9(18)14-11-16-15-10(19-11)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3,(H,14,16,18).
What are the key properties of 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102703238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).