1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone

C20H25N5O3 — CID 118428784

IUPAC1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnn3ccc(NCCNCCOCCO)nc23)c1
InChIInChI=1S/C20H25N5O3/c1-15(27)16-3-2-4-17(13-16)18-14-23-25-9-5-19(24-20(18)25)22-7-6-21-8-11-28-12-10-26/h2-5,9,13-14,21,26H,6-8,10-12H2,1H3,(H,22,24)
InChIKeyDCKUQRHVYPUFLK-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.61
Rot. Bonds11

About 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone

1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone (PubChem CID 118428784) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
PubChem CID118428784
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnn3ccc(NCCNCCOCCO)nc23)c1
InChIInChI=1S/C20H25N5O3/c1-15(27)16-3-2-4-17(13-16)18-14-23-25-9-5-19(24-20(18)25)22-7-6-21-8-11-28-12-10-26/h2-5,9,13-14,21,26H,6-8,10-12H2,1H3,(H,22,24)
InChIKeyDCKUQRHVYPUFLK-UHFFFAOYSA-N
XLogP1.61
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 24992595
N'-methyl-N-[3-[3-[1-(methylamino)ethenyl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N'-propylethane-1,2-diamine
CID 144918207
N'-[3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546001
N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 86697421
N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59662251
N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546230
N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 143598102
3-[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 118975221
3-[4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanal
CID 143598098
2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate
CID 71744764
(E)-3-[3-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]prop-2-enoic acid
CID 59662412
methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone (CID 118428784) is 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnn3ccc(NCCNCCOCCO)nc23)c1.
What is the InChIKey of 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
The InChIKey is DCKUQRHVYPUFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15(27)16-3-2-4-17(13-16)18-14-23-25-9-5-19(24-20(18)25)22-7-6-21-8-11-28-12-10-26/h2-5,9,13-14,21,26H,6-8,10-12H2,1H3,(H,22,24).
What are the key properties of 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone?
1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 1.61, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[2-[2-(2-hydroxyethoxy)ethylamino]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone is sourced from PubChem (CID 118428784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).