ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile

C15H19N3 — CID 155727464

IUPACethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile
SMILESCC.Cc1cnn2cc(C3(C#N)CCC3)ccc12
InChIInChI=1S/C13H13N3.C2H6/c1-10-7-15-16-8-11(3-4-12(10)16)13(9-14)5-2-6-13;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2H3
InChIKeyNUYZSUJTUIQSBB-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.61
Rot. Bonds1

About ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile

ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile (PubChem CID 155727464) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Nameethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile
PubChem CID155727464
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Nameethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile
SMILESCC.Cc1cnn2cc(C3(C#N)CCC3)ccc12
InChIInChI=1S/C13H13N3.C2H6/c1-10-7-15-16-8-11(3-4-12(10)16)13(9-14)5-2-6-13;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2H3
InChIKeyNUYZSUJTUIQSBB-UHFFFAOYSA-N
XLogP3.61
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile?
The IUPAC name of ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile (CID 155727464) is ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile is CC.Cc1cnn2cc(C3(C#N)CCC3)ccc12.
What is the InChIKey of ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile?
The InChIKey is NUYZSUJTUIQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C2H6/c1-10-7-15-16-8-11(3-4-12(10)16)13(9-14)5-2-6-13;1-2/h3-4,7-8H,2,5-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile?
ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylpyrazolo[1,5-a]pyridin-6-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155727464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).