2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol

C17H19ClN4O2 — CID 666093

IUPAC2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
SMILESCc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H19ClN4O2/c1-12-10-16(19-6-8-24-9-7-23)22-17(21-12)15(11-20-22)13-2-4-14(18)5-3-13/h2-5,10-11,19,23H,6-9H2,1H3
InChIKeyGBWMDPHRFOWTEA-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.78
Rot. Bonds7

About 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol

2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol (PubChem CID 666093) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
PubChem CID666093
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
SMILESCc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H19ClN4O2/c1-12-10-16(19-6-8-24-9-7-23)22-17(21-12)15(11-20-22)13-2-4-14(18)5-3-13/h2-5,10-11,19,23H,6-9H2,1H3
InChIKeyGBWMDPHRFOWTEA-UHFFFAOYSA-N
XLogP2.78
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
K00486
CID 6419820
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754790
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
4-[5-Tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1851774
4-(4-Chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
CID 2095788
3-(4-Chlorophenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4451673
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
3-(2-Chlorophenyl)-5-methyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 4910004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol (CID 666093) is 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol is Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The InChIKey is GBWMDPHRFOWTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-10-16(19-6-8-24-9-7-23)22-17(21-12)15(11-20-22)13-2-4-14(18)5-3-13/h2-5,10-11,19,23H,6-9H2,1H3.
What are the key properties of 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol has a molecular weight of 346.82 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 666093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).