diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium

C20H30N5S+ — CID 7441022

IUPACdiethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
SMILESCCc1c(C)nc2cc(-c3cccs3)nn2c1NCCC[NH+](CC)CC
InChIInChI=1S/C20H29N5S/c1-5-16-15(4)22-19-14-17(18-10-8-13-26-18)23-25(19)20(16)21-11-9-12-24(6-2)7-3/h8,10,13-14,21H,5-7,9,11-12H2,1-4H3/p+1
InChIKeyRVIJBCOZZQHURV-UHFFFAOYSA-O
MW372.56 g/mol
LogP3.06
Rot. Bonds9

About diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium

diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium (PubChem CID 7441022) has the molecular formula C20H30N5S+ and a molecular weight of 372.56 g/mol. Its IUPAC name is diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
PubChem CID7441022
Molecular FormulaC20H30N5S+
Molecular Weight372.56 g/mol
Exact Mass372.22
IUPAC Namediethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
SMILESCCc1c(C)nc2cc(-c3cccs3)nn2c1NCCC[NH+](CC)CC
InChIInChI=1S/C20H29N5S/c1-5-16-15(4)22-19-14-17(18-10-8-13-26-18)23-25(19)20(16)21-11-9-12-24(6-2)7-3/h8,10,13-14,21H,5-7,9,11-12H2,1-4H3/p+1
InChIKeyRVIJBCOZZQHURV-UHFFFAOYSA-O
XLogP3.06
TPSA46.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium with MolForge

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Related Compounds

3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 3229956
N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270798
3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
CID 3229975
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
2-[(2-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethanol
CID 3230171
2-[(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)amino]ethylazanium
CID 7435463
diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271221
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
(11-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)hydrazine
CID 82270494

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium?
The IUPAC name of diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium (CID 7441022) is diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium.
What is the SMILES notation for diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium?
The canonical SMILES for diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium is CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCC[NH+](CC)CC.
What is the InChIKey of diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium?
The InChIKey is RVIJBCOZZQHURV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29N5S/c1-5-16-15(4)22-19-14-17(18-10-8-13-26-18)23-25(19)20(16)21-11-9-12-24(6-2)7-3/h8,10,13-14,21H,5-7,9,11-12H2,1-4H3/p+1.
What are the key properties of diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium?
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium has a molecular weight of 372.56 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium is sourced from PubChem (CID 7441022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).