[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone

C16H22N4O3 — CID 56868173

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C16H22N4O3/c1-2-3-13-11-23-7-5-19(13)16(22)14-8-15-17-9-12(4-6-21)10-20(15)18-14/h8-10,13,21H,2-7,11H2,1H3
InChIKeyHQDCXSDFZGEWPW-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.91
Rot. Bonds5

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone (PubChem CID 56868173) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone
PubChem CID56868173
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone
SMILESCCCC1COCCN1C(=O)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C16H22N4O3/c1-2-3-13-11-23-7-5-19(13)16(22)14-8-15-17-9-12(4-6-21)10-20(15)18-14/h8-10,13,21H,2-7,11H2,1H3
InChIKeyHQDCXSDFZGEWPW-UHFFFAOYSA-N
XLogP0.91
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone (CID 56868173) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone is CCCC1COCCN1C(=O)c1cc2ncc(CCO)cn2n1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone?
The InChIKey is HQDCXSDFZGEWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-3-13-11-23-7-5-19(13)16(22)14-8-15-17-9-12(4-6-21)10-20(15)18-14/h8-10,13,21H,2-7,11H2,1H3.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-propylmorpholin-4-yl)methanone is sourced from PubChem (CID 56868173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).