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

C16H21N5O — CID 70747822

IUPAC5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cc(CC(C)C)on2)n2nccc2n1
InChIInChI=1S/C16H21N5O/c1-4-12-9-16(21-15(19-12)5-6-18-21)17-10-13-8-14(22-20-13)7-11(2)3/h5-6,8-9,11,17H,4,7,10H2,1-3H3
InChIKeyRKRUNVHURZIESN-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.09
Rot. Bonds6

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

5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70747822) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70747822
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cc(CC(C)C)on2)n2nccc2n1
InChIInChI=1S/C16H21N5O/c1-4-12-9-16(21-15(19-12)5-6-18-21)17-10-13-8-14(22-20-13)7-11(2)3/h5-6,8-9,11,17H,4,7,10H2,1-3H3
InChIKeyRKRUNVHURZIESN-UHFFFAOYSA-N
XLogP3.09
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70747822) is 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2cc(CC(C)C)on2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RKRUNVHURZIESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-12-9-16(21-15(19-12)5-6-18-21)17-10-13-8-14(22-20-13)7-11(2)3/h5-6,8-9,11,17H,4,7,10H2,1-3H3.
What are the key properties of 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70747822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).