N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine

C15H19N5S — CID 82270798

IUPACN'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
SMILESCCc1cc(NCCCN)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H19N5S/c1-2-11-9-14(17-7-4-6-16)20-15(18-11)10-12(19-20)13-5-3-8-21-13/h3,5,8-10,17H,2,4,6-7,16H2,1H3
InChIKeyCJPMDVGEVAODRO-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.78
Rot. Bonds6

About N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine

N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine (PubChem CID 82270798) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
PubChem CID82270798
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
SMILESCCc1cc(NCCCN)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H19N5S/c1-2-11-9-14(17-7-4-6-16)20-15(18-11)10-12(19-20)13-5-3-8-21-13/h3,5,8-10,17H,2,4,6-7,16H2,1H3
InChIKeyCJPMDVGEVAODRO-UHFFFAOYSA-N
XLogP2.78
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-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

3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
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-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270644
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
CID 7441022
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270760
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 82270770
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
N'-[5-ethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270640
[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
(3,4-difluorophenyl)methanamine;dimethyl 2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate
CID 161113232

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine (CID 82270798) is N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine is CCc1cc(NCCCN)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
The InChIKey is CJPMDVGEVAODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-2-11-9-14(17-7-4-6-16)20-15(18-11)10-12(19-20)13-5-3-8-21-13/h3,5,8-10,17H,2,4,6-7,16H2,1H3.
What are the key properties of N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine?
N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine has a molecular weight of 301.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine is sourced from PubChem (CID 82270798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).