5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H21N5O — CID 56884311

IUPAC5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(CNc2cc(CCC)nc3ccnn23)on1
InChIInChI=1S/C16H21N5O/c1-3-5-12-10-16(21-15(19-12)7-8-18-21)17-11-14-9-13(6-4-2)20-22-14/h7-10,17H,3-6,11H2,1-2H3
InChIKeyYCIXNQCULLPJIU-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.23
Rot. Bonds7

About 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56884311) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56884311
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(CNc2cc(CCC)nc3ccnn23)on1
InChIInChI=1S/C16H21N5O/c1-3-5-12-10-16(21-15(19-12)7-8-18-21)17-11-14-9-13(6-4-2)20-22-14/h7-10,17H,3-6,11H2,1-2H3
InChIKeyYCIXNQCULLPJIU-UHFFFAOYSA-N
XLogP3.23
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56884311) is 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(CNc2cc(CCC)nc3ccnn23)on1.
What is the InChIKey of 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YCIXNQCULLPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-5-12-10-16(21-15(19-12)7-8-18-21)17-11-14-9-13(6-4-2)20-22-14/h7-10,17H,3-6,11H2,1-2H3.
What are the key properties of 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56884311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).