5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C14H20N4 — CID 65320667

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCCC3CCCC32)c1C#N
InChIInChI=1S/C14H20N4/c1-10-12(9-15)14(17(2)16-10)18-8-4-6-11-5-3-7-13(11)18/h11,13H,3-8H2,1-2H3
InChIKeyBBGJIQNODYCWLH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.37
Rot. Bonds1

About 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 65320667) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID65320667
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCCC3CCCC32)c1C#N
InChIInChI=1S/C14H20N4/c1-10-12(9-15)14(17(2)16-10)18-8-4-6-11-5-3-7-13(11)18/h11,13H,3-8H2,1-2H3
InChIKeyBBGJIQNODYCWLH-UHFFFAOYSA-N
XLogP2.37
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 65320667) is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CCCC3CCCC32)c1C#N.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is BBGJIQNODYCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-12(9-15)14(17(2)16-10)18-8-4-6-11-5-3-7-13(11)18/h11,13H,3-8H2,1-2H3.
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 65320667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).