N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine

C15H25N5 — CID 82270760

IUPACN'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
SMILESCCC(CC)c1cc2nc(C)cc(NCCCN)n2n1
InChIInChI=1S/C15H25N5/c1-4-12(5-2)13-10-15-18-11(3)9-14(20(15)19-13)17-8-6-7-16/h9-10,12,17H,4-8,16H2,1-3H3
InChIKeyLBSFRYSFFIDQOI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.70
Rot. Bonds7

About N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine

N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine (PubChem CID 82270760) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
PubChem CID82270760
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
SMILESCCC(CC)c1cc2nc(C)cc(NCCCN)n2n1
InChIInChI=1S/C15H25N5/c1-4-12(5-2)13-10-15-18-11(3)9-14(20(15)19-13)17-8-6-7-16/h9-10,12,17H,4-8,16H2,1-3H3
InChIKeyLBSFRYSFFIDQOI-UHFFFAOYSA-N
XLogP2.70
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine (CID 82270760) is N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine is CCC(CC)c1cc2nc(C)cc(NCCCN)n2n1.
What is the InChIKey of N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The InChIKey is LBSFRYSFFIDQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-12(5-2)13-10-15-18-11(3)9-14(20(15)19-13)17-8-6-7-16/h9-10,12,17H,4-8,16H2,1-3H3.
What are the key properties of N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine is sourced from PubChem (CID 82270760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).