N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide

C11H16N4OS — CID 21083457

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide
SMILESCSc1cnn(C(=O)NC2CC3CC2CN3)c1
InChIInChI=1S/C11H16N4OS/c1-17-9-5-13-15(6-9)11(16)14-10-3-8-2-7(10)4-12-8/h5-8,10,12H,2-4H2,1H3,(H,14,16)
InChIKeyGJBOHWDQCLLKON-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.91
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide (PubChem CID 21083457) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide
PubChem CID21083457
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide
SMILESCSc1cnn(C(=O)NC2CC3CC2CN3)c1
InChIInChI=1S/C11H16N4OS/c1-17-9-5-13-15(6-9)11(16)14-10-3-8-2-7(10)4-12-8/h5-8,10,12H,2-4H2,1H3,(H,14,16)
InChIKeyGJBOHWDQCLLKON-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide (CID 21083457) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide is CSc1cnn(C(=O)NC2CC3CC2CN3)c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide?
The InChIKey is GJBOHWDQCLLKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-17-9-5-13-15(6-9)11(16)14-10-3-8-2-7(10)4-12-8/h5-8,10,12H,2-4H2,1H3,(H,14,16).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide is sourced from PubChem (CID 21083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).