N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H22BrN5O — CID 89489508

IUPACN-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESBrc1cnn2ccc(OCCNCCCN3CCCC3)nc12
InChIInChI=1S/C15H22BrN5O/c16-13-12-18-21-10-4-14(19-15(13)21)22-11-6-17-5-3-9-20-7-1-2-8-20/h4,10,12,17H,1-3,5-9,11H2
InChIKeyVWUGWSMNMFRRPP-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.95
Rot. Bonds8

About N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 89489508) has the molecular formula C15H22BrN5O and a molecular weight of 368.28 g/mol. Its IUPAC name is N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID89489508
Molecular FormulaC15H22BrN5O
Molecular Weight368.28 g/mol
Exact Mass367.10
IUPAC NameN-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESBrc1cnn2ccc(OCCNCCCN3CCCC3)nc12
InChIInChI=1S/C15H22BrN5O/c16-13-12-18-21-10-4-14(19-15(13)21)22-11-6-17-5-3-9-20-7-1-2-8-20/h4,10,12,17H,1-3,5-9,11H2
InChIKeyVWUGWSMNMFRRPP-UHFFFAOYSA-N
XLogP1.95
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 50959180
2-Ethoxy-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 66584925
5-(cyclopropylmethoxy)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68031562
tert-butyl N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]carbamate
CID 90293720
tert-butyl N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-N-(2-hydroxyethyl)carbamate
CID 90448134
3-(3-Bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
CID 90448191
tert-butyl N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 117635049
3-Bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
CID 118975178
3-(3-Bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol
CID 118975189
[(2S)-1-[3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropyl]pyrrolidin-2-yl]methanol
CID 118975227
N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-N-[2-(4-ethyl-5,5-dimethylhexan-3-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 123363216
N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 123581950

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 89489508) is N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine is Brc1cnn2ccc(OCCNCCCN3CCCC3)nc12.
What is the InChIKey of N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is VWUGWSMNMFRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5O/c16-13-12-18-21-10-4-14(19-15(13)21)22-11-6-17-5-3-9-20-7-1-2-8-20/h4,10,12,17H,1-3,5-9,11H2.
What are the key properties of N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 368.28 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 89489508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).