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

C16H19N5 — CID 115372311

IUPACN'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
SMILESCN(CCCNc1ccn2nccc2n1)c1ccccc1
InChIInChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)12-5-10-17-15-9-13-21-16(19-15)8-11-18-21/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,17,19)
InChIKeyFMRMARZUNBBHDB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.67
Rot. Bonds6

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

N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine (PubChem CID 115372311) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
PubChem CID115372311
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
SMILESCN(CCCNc1ccn2nccc2n1)c1ccccc1
InChIInChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)12-5-10-17-15-9-13-21-16(19-15)8-11-18-21/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,17,19)
InChIKeyFMRMARZUNBBHDB-UHFFFAOYSA-N
XLogP2.67
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine (CID 115372311) is N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine is CN(CCCNc1ccn2nccc2n1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
The InChIKey is FMRMARZUNBBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)12-5-10-17-15-9-13-21-16(19-15)8-11-18-21/h2-4,6-9,11,13H,5,10,12H2,1H3,(H,17,19).
What are the key properties of N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine?
N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine is sourced from PubChem (CID 115372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).