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

C16H18N4O2 — CID 652377

IUPAC2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCOc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1
InChIInChI=1S/C16H18N4O2/c1-11-9-15(17-7-8-21)20-16(18-11)10-14(19-20)12-3-5-13(22-2)6-4-12/h3-6,9-10,17,21H,7-8H2,1-2H3
InChIKeyBXVYSVNNCZSPAS-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.12
Rot. Bonds5

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

2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 652377) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID652377
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCOc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1
InChIInChI=1S/C16H18N4O2/c1-11-9-15(17-7-8-21)20-16(18-11)10-14(19-20)12-3-5-13(22-2)6-4-12/h3-6,9-10,17,21H,7-8H2,1-2H3
InChIKeyBXVYSVNNCZSPAS-UHFFFAOYSA-N
XLogP2.12
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 652377) is 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is COc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is BXVYSVNNCZSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-15(17-7-8-21)20-16(18-11)10-14(19-20)12-3-5-13(22-2)6-4-12/h3-6,9-10,17,21H,7-8H2,1-2H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 298.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 652377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).