N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine

C16H19BrN6 — CID 89057975

IUPACN'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1cc(-c2ccccc2N)nc2c(Br)cnn12
InChIInChI=1S/C16H19BrN6/c1-19-7-4-8-20-15-9-14(11-5-2-3-6-13(11)18)22-16-12(17)10-21-23(15)16/h2-3,5-6,9-10,19-20H,4,7-8,18H2,1H3
InChIKeyWMGNDCBVFCYFAE-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.76
Rot. Bonds6

About N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine

N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine (PubChem CID 89057975) has the molecular formula C16H19BrN6 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
PubChem CID89057975
Molecular FormulaC16H19BrN6
Molecular Weight375.27 g/mol
Exact Mass374.09
IUPAC NameN'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1cc(-c2ccccc2N)nc2c(Br)cnn12
InChIInChI=1S/C16H19BrN6/c1-19-7-4-8-20-15-9-14(11-5-2-3-6-13(11)18)22-16-12(17)10-21-23(15)16/h2-3,5-6,9-10,19-20H,4,7-8,18H2,1H3
InChIKeyWMGNDCBVFCYFAE-UHFFFAOYSA-N
XLogP2.76
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine 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

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-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylbutane-1,4-diamine;ethane
CID 143090193
N-[2-[[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]thiophene-2-sulfonamide
CID 89365737
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]propane-1-sulfonamide
CID 21067986
N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide
CID 143089822
2-[3-bromo-7-[3-[cyclopentyl(methyl)amino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142870766
N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-cyclobutyl-N'-methylpropane-1,3-diamine
CID 21068400
3-bromo-5-(2-iodophenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142870999
N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-2,6-dichlorobenzamide
CID 21068040
methyl 9-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-oxononanoate
CID 142870749
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]cyclopentanecarboxamide
CID 21067895

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine (CID 89057975) is N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine is CNCCCNc1cc(-c2ccccc2N)nc2c(Br)cnn12.
What is the InChIKey of N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine?
The InChIKey is WMGNDCBVFCYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6/c1-19-7-4-8-20-15-9-14(11-5-2-3-6-13(11)18)22-16-12(17)10-21-23(15)16/h2-3,5-6,9-10,19-20H,4,7-8,18H2,1H3.
What are the key properties of N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine?
N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine has a molecular weight of 375.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 89057975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).