N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine

C24H24FN5O — CID 45174955

IUPACN-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCOc1ccc(-n2cc(CNC(C)Cc3cnccn3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H24FN5O/c1-17(12-21-15-26-10-11-27-21)28-14-19-16-30(22-6-8-23(31-2)9-7-22)29-24(19)18-4-3-5-20(25)13-18/h3-11,13,15-17,28H,12,14H2,1-2H3
InChIKeyMFMYOWFHYRRGHB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.20
Rot. Bonds8

About N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine

N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine (PubChem CID 45174955) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
PubChem CID45174955
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCOc1ccc(-n2cc(CNC(C)Cc3cnccn3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H24FN5O/c1-17(12-21-15-26-10-11-27-21)28-14-19-16-30(22-6-8-23(31-2)9-7-22)29-24(19)18-4-3-5-20(25)13-18/h3-11,13,15-17,28H,12,14H2,1-2H3
InChIKeyMFMYOWFHYRRGHB-UHFFFAOYSA-N
XLogP4.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine (CID 45174955) is N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine is COc1ccc(-n2cc(CNC(C)Cc3cnccn3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is MFMYOWFHYRRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-17(12-21-15-26-10-11-27-21)28-14-19-16-30(22-6-8-23(31-2)9-7-22)29-24(19)18-4-3-5-20(25)13-18/h3-11,13,15-17,28H,12,14H2,1-2H3.
What are the key properties of N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 417.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 45174955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).