N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine

C16H18FN5 — CID 82270770

IUPACN'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
SMILESCc1cc(NCCCN)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C16H18FN5/c1-11-8-15(19-7-3-6-18)22-16(20-11)10-14(21-22)12-4-2-5-13(17)9-12/h2,4-5,8-10,19H,3,6-7,18H2,1H3
InChIKeyGFLOTWMOLGFTQI-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.60
Rot. Bonds5

About N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine

N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine (PubChem CID 82270770) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
PubChem CID82270770
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC NameN'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
SMILESCc1cc(NCCCN)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C16H18FN5/c1-11-8-15(19-7-3-6-18)22-16(20-11)10-14(21-22)12-4-2-5-13(17)9-12/h2,4-5,8-10,19H,3,6-7,18H2,1H3
InChIKeyGFLOTWMOLGFTQI-UHFFFAOYSA-N
XLogP2.60
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
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'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine (CID 82270770) is N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine is Cc1cc(NCCCN)n2nc(-c3cccc(F)c3)cc2n1.
What is the InChIKey of N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine?
The InChIKey is GFLOTWMOLGFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c1-11-8-15(19-7-3-6-18)22-16(20-11)10-14(21-22)12-4-2-5-13(17)9-12/h2,4-5,8-10,19H,3,6-7,18H2,1H3.
What are the key properties of N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine?
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine has a molecular weight of 299.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine is sourced from PubChem (CID 82270770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).