3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile

C14H18N6 — CID 138391887

IUPAC3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
SMILESCc1cc(NCCC#N)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C14H18N6/c1-10-8-13(17-7-3-5-15)20-14(18-10)9-12(19-20)11-4-2-6-16-11/h8-9,11,16-17H,2-4,6-7H2,1H3
InChIKeyVFIYFKMUXAXZPG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds4

About 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile

3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile (PubChem CID 138391887) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
PubChem CID138391887
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
SMILESCc1cc(NCCC#N)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C14H18N6/c1-10-8-13(17-7-3-5-15)20-14(18-10)9-12(19-20)11-4-2-6-16-11/h8-9,11,16-17H,2-4,6-7H2,1H3
InChIKeyVFIYFKMUXAXZPG-UHFFFAOYSA-N
XLogP1.79
TPSA78.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile?
The IUPAC name of 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile (CID 138391887) is 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile?
The canonical SMILES for 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile is Cc1cc(NCCC#N)n2nc(C3CCCN3)cc2n1.
What is the InChIKey of 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile?
The InChIKey is VFIYFKMUXAXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-8-13(17-7-3-5-15)20-14(18-10)9-12(19-20)11-4-2-6-16-11/h8-9,11,16-17H,2-4,6-7H2,1H3.
What are the key properties of 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile?
3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile has a molecular weight of 270.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile is sourced from PubChem (CID 138391887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).