N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine

C16H25N5 — CID 104729848

IUPACN'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1nccn2nccc12)C1CCCCCC1
InChIInChI=1S/C16H25N5/c17-9-5-12-20(14-6-3-1-2-4-7-14)16-15-8-10-19-21(15)13-11-18-16/h8,10-11,13-14H,1-7,9,12,17H2
InChIKeyVBLAKVLJKXLKGN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds5

About N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine

N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine (PubChem CID 104729848) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
PubChem CID104729848
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1nccn2nccc12)C1CCCCCC1
InChIInChI=1S/C16H25N5/c17-9-5-12-20(14-6-3-1-2-4-7-14)16-15-8-10-19-21(15)13-11-18-16/h8,10-11,13-14H,1-7,9,12,17H2
InChIKeyVBLAKVLJKXLKGN-UHFFFAOYSA-N
XLogP2.61
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-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'-cyclopropyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104734227
N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
CID 102871209
2-[cyclopentyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 104733071
N'-ethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729830
N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132183
N'-benzyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 107368386
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732739
N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 60868924
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-(5-bromoisoquinolin-1-yl)-N'-cyclobutylpropane-1,3-diamine
CID 106543638
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine (CID 104729848) is N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine is NCCCN(c1nccn2nccc12)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine?
The InChIKey is VBLAKVLJKXLKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c17-9-5-12-20(14-6-3-1-2-4-7-14)16-15-8-10-19-21(15)13-11-18-16/h8,10-11,13-14H,1-7,9,12,17H2.
What are the key properties of N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine?
N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 104729848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).