N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine

C23H22FN5 — CID 25383519

IUPACN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
SMILESCc1ccc(-n2cc(CN(C)Cc3ccncn3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H22FN5/c1-17-3-9-22(10-4-17)29-14-19(13-28(2)15-21-11-12-25-16-26-21)23(27-29)18-5-7-20(24)8-6-18/h3-12,14,16H,13,15H2,1-2H3
InChIKeyRKHYXVBXLNHZNH-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.41
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine

N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine (PubChem CID 25383519) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
PubChem CID25383519
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
SMILESCc1ccc(-n2cc(CN(C)Cc3ccncn3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H22FN5/c1-17-3-9-22(10-4-17)29-14-19(13-28(2)15-21-11-12-25-16-26-21)23(27-29)18-5-7-20(24)8-6-18/h3-12,14,16H,13,15H2,1-2H3
InChIKeyRKHYXVBXLNHZNH-UHFFFAOYSA-N
XLogP4.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine (CID 25383519) is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine is Cc1ccc(-n2cc(CN(C)Cc3ccncn3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine?
The InChIKey is RKHYXVBXLNHZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c1-17-3-9-22(10-4-17)29-14-19(13-28(2)15-21-11-12-25-16-26-21)23(27-29)18-5-7-20(24)8-6-18/h3-12,14,16H,13,15H2,1-2H3.
What are the key properties of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine?
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine has a molecular weight of 387.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 25383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).