3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C9H10BrClN4O — CID 118452773

IUPAC3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(Cl)nc2c(Br)cnn12
InChIInChI=1S/C9H10BrClN4O/c1-16-3-2-12-8-4-7(11)14-9-6(10)5-13-15(8)9/h4-5,12H,2-3H2,1H3
InChIKeyQDGWQFOQSFPMFI-UHFFFAOYSA-N
MW305.56 g/mol
LogP2.20
Rot. Bonds4

About 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118452773) has the molecular formula C9H10BrClN4O and a molecular weight of 305.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118452773
Molecular FormulaC9H10BrClN4O
Molecular Weight305.56 g/mol
Exact Mass303.97
IUPAC Name3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(Cl)nc2c(Br)cnn12
InChIInChI=1S/C9H10BrClN4O/c1-16-3-2-12-8-4-7(11)14-9-6(10)5-13-15(8)9/h4-5,12H,2-3H2,1H3
InChIKeyQDGWQFOQSFPMFI-UHFFFAOYSA-N
XLogP2.20
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 52.20
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

3-bromo-5-chloro-N-(3-propylhexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90176158
2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
CID 157027125
3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 144626386
3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452759
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956
3-bromo-N-[[1-hydroxy-6-(2-methoxyethylamino)pyridin-1-ium-3-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[1-hydroxy-6-(methylamino)pyridin-1-ium-3-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157169851
3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 157275730
N'-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylbutane-1,4-diamine;ethane
CID 143090193
N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-2,6-dichlorobenzamide
CID 21068040
3-bromo-5-(2-chlorophenyl)-N-[3-(4-iodopentoxy)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441194
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 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 118452773) is 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(Cl)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QDGWQFOQSFPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN4O/c1-16-3-2-12-8-4-7(11)14-9-6(10)5-13-15(8)9/h4-5,12H,2-3H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.56 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118452773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).