diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium

C22H32N5O+ — CID 7440560

IUPACdiethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
SMILESCC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C22H31N5O/c1-6-26(7-2)14-8-13-23-22-16(3)17(4)24-21-15-20(25-27(21)22)18-9-11-19(28-5)12-10-18/h9-12,15,23H,6-8,13-14H2,1-5H3/p+1
InChIKeyQLLOEAFUYKIPIQ-UHFFFAOYSA-O
MW382.53 g/mol
LogP2.75
Rot. Bonds9

About diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium

diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium (PubChem CID 7440560) has the molecular formula C22H32N5O+ and a molecular weight of 382.53 g/mol. Its IUPAC name is diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
PubChem CID7440560
Molecular FormulaC22H32N5O+
Molecular Weight382.53 g/mol
Exact Mass382.26
IUPAC Namediethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
SMILESCC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C22H31N5O/c1-6-26(7-2)14-8-13-23-22-16(3)17(4)24-21-15-20(25-27(21)22)18-9-11-19(28-5)12-10-18/h9-12,15,23H,6-8,13-14H2,1-5H3/p+1
InChIKeyQLLOEAFUYKIPIQ-UHFFFAOYSA-O
XLogP2.75
TPSA55.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium with MolForge

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Related Compounds

3-[[2-(3-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethylazanium
CID 7440565
N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 3422642
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
CID 7441022
3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
CID 3229975
[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7440570
N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
CID 1441364
2-(4-fluorophenyl)-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1434715
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441107
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
5,6-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95856105
N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 118870771

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium?
The IUPAC name of diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium (CID 7440560) is diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium.
What is the SMILES notation for diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium?
The canonical SMILES for diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium is CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccc(OC)cc3)nn12.
What is the InChIKey of diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium?
The InChIKey is QLLOEAFUYKIPIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N5O/c1-6-26(7-2)14-8-13-23-22-16(3)17(4)24-21-15-20(25-27(21)22)18-9-11-19(28-5)12-10-18/h9-12,15,23H,6-8,13-14H2,1-5H3/p+1.
What are the key properties of diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium?
diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium has a molecular weight of 382.53 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium is sourced from PubChem (CID 7440560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).