3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C11H13BrClN5 — CID 71200477

IUPAC3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1
InChIInChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1
InChIKeyXIEPHFWRTCBLEY-ZCFIWIBFSA-N
MW330.62 g/mol
LogP2.57
Rot. Bonds1

About 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71200477) has the molecular formula C11H13BrClN5 and a molecular weight of 330.62 g/mol. Its IUPAC name is 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71200477
Molecular FormulaC11H13BrClN5
Molecular Weight330.62 g/mol
Exact Mass329.00
IUPAC Name3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1
InChIInChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1
InChIKeyXIEPHFWRTCBLEY-ZCFIWIBFSA-N
XLogP2.57
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-5-chloro-6-fluoropyrazolo[1,5-a]pyrimidin-7-amine
CID 170992363
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 16224742
N'-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine
CID 16224950
N'-[(3S)-1-(7-amino-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]ethane-1,2-diamine
CID 16224951
5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine
CID 16225780
5-[(3R)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine
CID 16225969
5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-chloropyrazolo[1,5-a]pyrimidin-7-amine
CID 16225970
5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-amine
CID 16225971
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine
CID 16226172
5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine
CID 16226173
5-Bromo-2-(4-chloropyrazol-1-yl)-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 53468666
5-[(3S)-3-aminopyrrolidin-1-yl]-3-bromo-6-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59427787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 71200477) is 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine is C[C@@H]1CCN(c2nc3c(Br)cnn3c(N)c2Cl)C1.
What is the InChIKey of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XIEPHFWRTCBLEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13BrClN5/c1-6-2-3-17(5-6)11-8(13)9(14)18-10(16-11)7(12)4-15-18/h4,6H,2-3,5,14H2,1H3/t6-/m1/s1.
What are the key properties of 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-5-[(3R)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).