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

C18H19BrN4 — CID 143441458

IUPAC3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCCC2)n2ncc(Br)c2n1
InChIInChI=1S/C18H19BrN4/c1-12-6-2-5-9-14(12)16-10-17(21-13-7-3-4-8-13)23-18(22-16)15(19)11-20-23/h2,5-6,9-11,13,21H,3-4,7-8H2,1H3
InChIKeySCHJFVGAIFTSDB-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.82
Rot. Bonds3

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

3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143441458) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143441458
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccccc1-c1cc(NC2CCCC2)n2ncc(Br)c2n1
InChIInChI=1S/C18H19BrN4/c1-12-6-2-5-9-14(12)16-10-17(21-13-7-3-4-8-13)23-18(22-16)15(19)11-20-23/h2,5-6,9-11,13,21H,3-4,7-8H2,1H3
InChIKeySCHJFVGAIFTSDB-UHFFFAOYSA-N
XLogP4.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090497
3-bromo-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142871010
3-bromo-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441238
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-cyclohexylmethanone
CID 136620106
N'-[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
CID 70843397
N-[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-(1-cyclopropylethenyl)butane-1,4-diamine
CID 143441629
3-bromo-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090093
1-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-2-cyclohexylethanone
CID 136593962
[(1S)-5-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclononyl]-(1-phenylcyclopentyl)methanone
CID 143090011
3-bromo-5-(2-chlorophenyl)-N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066895
2-[3-bromo-7-[3-[cyclopentyl(methyl)amino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142870766

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143441458) is 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccccc1-c1cc(NC2CCCC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SCHJFVGAIFTSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-12-6-2-5-9-14(12)16-10-17(21-13-7-3-4-8-13)23-18(22-16)15(19)11-20-23/h2,5-6,9-11,13,21H,3-4,7-8H2,1H3.
What are the key properties of 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 371.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143441458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).