2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

C17H20N4O2 — CID 16668304

IUPAC2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCOc1ccc(-c2c(C)nn3c(NCCO)cc(C)nc23)cc1
InChIInChI=1S/C17H20N4O2/c1-11-10-15(18-8-9-22)21-17(19-11)16(12(2)20-21)13-4-6-14(23-3)7-5-13/h4-7,10,18,22H,8-9H2,1-3H3
InChIKeyDGGVTFUJYIJRFI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds5

About 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 16668304) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID16668304
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCOc1ccc(-c2c(C)nn3c(NCCO)cc(C)nc23)cc1
InChIInChI=1S/C17H20N4O2/c1-11-10-15(18-8-9-22)21-17(19-11)16(12(2)20-21)13-4-6-14(23-3)7-5-13/h4-7,10,18,22H,8-9H2,1-3H3
InChIKeyDGGVTFUJYIJRFI-UHFFFAOYSA-N
XLogP2.43
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 16668304) is 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is COc1ccc(-c2c(C)nn3c(NCCO)cc(C)nc23)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is DGGVTFUJYIJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-10-15(18-8-9-22)21-17(19-11)16(12(2)20-21)13-4-6-14(23-3)7-5-13/h4-7,10,18,22H,8-9H2,1-3H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 312.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 16668304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).