1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one

C16H24N4O — CID 134386221

IUPAC1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one
SMILESCCCCCN(C)c1ccn2ncc(C(=O)CCC)c2n1
InChIInChI=1S/C16H24N4O/c1-4-6-7-10-19(3)15-9-11-20-16(18-15)13(12-17-20)14(21)8-5-2/h9,11-12H,4-8,10H2,1-3H3
InChIKeyVHDHPICTAXOUFN-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.34
Rot. Bonds8

About 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one

1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one (PubChem CID 134386221) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one
PubChem CID134386221
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one
SMILESCCCCCN(C)c1ccn2ncc(C(=O)CCC)c2n1
InChIInChI=1S/C16H24N4O/c1-4-6-7-10-19(3)15-9-11-20-16(18-15)13(12-17-20)14(21)8-5-2/h9,11-12H,4-8,10H2,1-3H3
InChIKeyVHDHPICTAXOUFN-UHFFFAOYSA-N
XLogP3.34
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one?
The IUPAC name of 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one (CID 134386221) is 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one?
The canonical SMILES for 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one is CCCCCN(C)c1ccn2ncc(C(=O)CCC)c2n1.
What is the InChIKey of 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one?
The InChIKey is VHDHPICTAXOUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-6-7-10-19(3)15-9-11-20-16(18-15)13(12-17-20)14(21)8-5-2/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one?
1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one has a molecular weight of 288.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl(pentyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one is sourced from PubChem (CID 134386221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).