1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine

C13H19N5 — CID 146502810

IUPAC1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
SMILESCC(C)c1cc(NC2CC(N)C2)n2nccc2n1
InChIInChI=1S/C13H19N5/c1-8(2)11-7-13(16-10-5-9(14)6-10)18-12(17-11)3-4-15-18/h3-4,7-10,16H,5-6,14H2,1-2H3
InChIKeyCDVYLHGEJHJTQG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.75
Rot. Bonds3

About 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine

1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine (PubChem CID 146502810) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
PubChem CID146502810
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
SMILESCC(C)c1cc(NC2CC(N)C2)n2nccc2n1
InChIInChI=1S/C13H19N5/c1-8(2)11-7-13(16-10-5-9(14)6-10)18-12(17-11)3-4-15-18/h3-4,7-10,16H,5-6,14H2,1-2H3
InChIKeyCDVYLHGEJHJTQG-UHFFFAOYSA-N
XLogP1.75
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine (CID 146502810) is 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine is CC(C)c1cc(NC2CC(N)C2)n2nccc2n1.
What is the InChIKey of 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine?
The InChIKey is CDVYLHGEJHJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8(2)11-7-13(16-10-5-9(14)6-10)18-12(17-11)3-4-15-18/h3-4,7-10,16H,5-6,14H2,1-2H3.
What are the key properties of 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine?
1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 146502810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).