1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one

C19H20BrN5O — CID 91305302

IUPAC1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C19H20BrN5O/c20-15-13-22-25-17(21-9-5-11-24-10-4-8-18(24)26)12-16(23-19(15)25)14-6-2-1-3-7-14/h1-3,6-7,12-13,21H,4-5,8-11H2
InChIKeyARJDULPJRJMABA-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.58
Rot. Bonds6

About 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 91305302) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
PubChem CID91305302
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC Name1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C19H20BrN5O/c20-15-13-22-25-17(21-9-5-11-24-10-4-8-18(24)26)12-16(23-19(15)25)14-6-2-1-3-7-14/h1-3,6-7,12-13,21H,4-5,8-11H2
InChIKeyARJDULPJRJMABA-UHFFFAOYSA-N
XLogP3.58
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
1-[2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 70766799
N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 10480592
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]cyclopentanecarboxamide
CID 21067895
2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide
CID 143440902
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide
CID 143089822
N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
CID 89057975
N'-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylbutane-1,4-diamine;ethane
CID 143090193
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]propane-1-sulfonamide
CID 21067986

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one (CID 91305302) is 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1cc(-c2ccccc2)nc2c(Br)cnn12.
What is the InChIKey of 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is ARJDULPJRJMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c20-15-13-22-25-17(21-9-5-11-24-10-4-8-18(24)26)12-16(23-19(15)25)14-6-2-1-3-7-14/h1-3,6-7,12-13,21H,4-5,8-11H2.
What are the key properties of 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 414.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 91305302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).