5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H18BrN7 — CID 24821405

IUPAC5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3
InChIKeyLLTKFFXCYICMCL-UHFFFAOYSA-N
MW364.25 g/mol
LogP1.75
Rot. Bonds4

About 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821405) has the molecular formula C14H18BrN7 and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24821405
Molecular FormulaC14H18BrN7
Molecular Weight364.25 g/mol
Exact Mass363.08
IUPAC Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3
InChIKeyLLTKFFXCYICMCL-UHFFFAOYSA-N
XLogP1.75
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821246
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143439967
5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656286
1-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]azepan-1-yl]ethanone
CID 58364631
5-(2-aminopropyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158604424
6-bromo-3-(1-methylpyrazol-4-yl)-5-(1-methylsulfonyl-1,4-diazepan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821321
1-[4-[7-amino-6-bromo-3-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 77454253
5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143439981
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 155640290
5-(4-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364603
6-bromo-5-[2-(propylamino)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108511
3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile;ethane
CID 143436633

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821405) is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.
What is the InChIKey of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LLTKFFXCYICMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3.
What are the key properties of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).