4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine

C17H25N5O — CID 56899471

IUPAC4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
SMILESCC(C)c1cc(N2CCC(N3CCOCC3)C2)n2nccc2n1
InChIInChI=1S/C17H25N5O/c1-13(2)15-11-17(22-16(19-15)3-5-18-22)21-6-4-14(12-21)20-7-9-23-10-8-20/h3,5,11,13-14H,4,6-10,12H2,1-2H3
InChIKeyQNSBENKMFGWZON-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.76
Rot. Bonds3

About 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine

4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine (PubChem CID 56899471) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
PubChem CID56899471
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
SMILESCC(C)c1cc(N2CCC(N3CCOCC3)C2)n2nccc2n1
InChIInChI=1S/C17H25N5O/c1-13(2)15-11-17(22-16(19-15)3-5-18-22)21-6-4-14(12-21)20-7-9-23-10-8-20/h3,5,11,13-14H,4,6-10,12H2,1-2H3
InChIKeyQNSBENKMFGWZON-UHFFFAOYSA-N
XLogP1.76
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine (CID 56899471) is 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine is CC(C)c1cc(N2CCC(N3CCOCC3)C2)n2nccc2n1.
What is the InChIKey of 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is QNSBENKMFGWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)15-11-17(22-16(19-15)3-5-18-22)21-6-4-14(12-21)20-7-9-23-10-8-20/h3,5,11,13-14H,4,6-10,12H2,1-2H3.
What are the key properties of 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 315.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 56899471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).