N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine

C13H21N5 — CID 115372327

IUPACN',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccn2nccc2n1
InChIInChI=1S/C13H21N5/c1-3-17(4-2)10-5-8-14-12-7-11-18-13(16-12)6-9-15-18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,16)
InChIKeyAHDUMSVAEFNHCD-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.87
Rot. Bonds7

About N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine

N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine (PubChem CID 115372327) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
PubChem CID115372327
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccn2nccc2n1
InChIInChI=1S/C13H21N5/c1-3-17(4-2)10-5-8-14-12-7-11-18-13(16-12)6-9-15-18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,16)
InChIKeyAHDUMSVAEFNHCD-UHFFFAOYSA-N
XLogP1.87
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 113296634
N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372311
N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372342
N-(3-methylsulfanylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372575
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372581
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296729
N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
2-methyl-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-2-ol
CID 115372604
N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372397
N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296697
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine (CID 115372327) is N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine is CCN(CC)CCCNc1ccn2nccc2n1.
What is the InChIKey of N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The InChIKey is AHDUMSVAEFNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-17(4-2)10-5-8-14-12-7-11-18-13(16-12)6-9-15-18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,14,16).
What are the key properties of N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine is sourced from PubChem (CID 115372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).