5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C9H13N5 — CID 65249409

IUPAC5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(N)C2)c1C#N
InChIInChI=1S/C9H13N5/c1-6-8(3-10)9(13(2)12-6)14-4-7(11)5-14/h7H,4-5,11H2,1-2H3
InChIKeyGJILBFLZCFLCFA-UHFFFAOYSA-N
MW191.24 g/mol
LogP-0.25
Rot. Bonds1

About 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 65249409) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID65249409
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(N)C2)c1C#N
InChIInChI=1S/C9H13N5/c1-6-8(3-10)9(13(2)12-6)14-4-7(11)5-14/h7H,4-5,11H2,1-2H3
InChIKeyGJILBFLZCFLCFA-UHFFFAOYSA-N
XLogP-0.25
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 65249409) is 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CC(N)C2)c1C#N.
What is the InChIKey of 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is GJILBFLZCFLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-8(3-10)9(13(2)12-6)14-4-7(11)5-14/h7H,4-5,11H2,1-2H3.
What are the key properties of 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 191.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 65249409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).