2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C15H24N4 — CID 79572695

IUPAC2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCn1nccc1C
InChIInChI=1S/C15H24N4/c1-3-9-17-15(12-16)8-4-5-14(15)7-11-19-13(2)6-10-18-19/h6,10,14,17H,3-5,7-9,11H2,1-2H3
InChIKeyCUOLILIJJPQLDQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79572695) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79572695
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCn1nccc1C
InChIInChI=1S/C15H24N4/c1-3-9-17-15(12-16)8-4-5-14(15)7-11-19-13(2)6-10-18-19/h6,10,14,17H,3-5,7-9,11H2,1-2H3
InChIKeyCUOLILIJJPQLDQ-UHFFFAOYSA-N
XLogP2.64
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79572695) is 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCn1nccc1C.
What is the InChIKey of 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is CUOLILIJJPQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-9-17-15(12-16)8-4-5-14(15)7-11-19-13(2)6-10-18-19/h6,10,14,17H,3-5,7-9,11H2,1-2H3.
What are the key properties of 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).