2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C18H23N5O — CID 25125016

IUPAC2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12
InChIInChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyHIPPSPXQODHOFI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.87
Rot. Bonds7

About 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 25125016) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID25125016
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12
InChIInChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22)
InChIKeyHIPPSPXQODHOFI-UHFFFAOYSA-N
XLogP2.87
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 25125016) is 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is CC(C)c1cnn2c(NCc3ccccc3)cc(NCCO)nc12.
What is the InChIKey of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is HIPPSPXQODHOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(2)15-12-21-23-17(20-11-14-6-4-3-5-7-14)10-16(19-8-9-24)22-18(15)23/h3-7,10,12-13,20,24H,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 25125016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).