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

C23H24FN5 — CID 3230059

IUPACN-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12
InChIInChI=1S/C23H24FN5/c1-28(2)13-7-12-25-22-15-20(17-8-4-3-5-9-17)26-23-16-21(27-29(22)23)18-10-6-11-19(24)14-18/h3-6,8-11,14-16,25H,7,12-13H2,1-2H3
InChIKeyDGZNIXGYVXEUIZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.57
Rot. Bonds7

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

N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3230059) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID3230059
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC NameN-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12
InChIInChI=1S/C23H24FN5/c1-28(2)13-7-12-25-22-15-20(17-8-4-3-5-9-17)26-23-16-21(27-29(22)23)18-10-6-11-19(24)14-18/h3-6,8-11,14-16,25H,7,12-13H2,1-2H3
InChIKeyDGZNIXGYVXEUIZ-UHFFFAOYSA-N
XLogP4.57
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.57
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

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Enmd-2076
CID 16041424
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
(R)-Zinc-3573
CID 95882507
AZ-960
CID 25099184
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine (CID 3230059) is N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12.
What is the InChIKey of N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is DGZNIXGYVXEUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-28(2)13-7-12-25-22-15-20(17-8-4-3-5-9-17)26-23-16-21(27-29(22)23)18-10-6-11-19(24)14-18/h3-6,8-11,14-16,25H,7,12-13H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 389.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3230059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).