N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

C23H24FN5 — CID 42211540

IUPACN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN5/c1-17-3-9-22(10-4-17)29-16-20(15-28(2)12-11-18-13-25-26-14-18)23(27-29)19-5-7-21(24)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26)
InChIKeyFODSPWFLEDFXBS-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.38
Rot. Bonds7

About N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (PubChem CID 42211540) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
PubChem CID42211540
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC NameN-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H24FN5/c1-17-3-9-22(10-4-17)29-16-20(15-28(2)12-11-18-13-25-26-14-18)23(27-29)19-5-7-21(24)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26)
InChIKeyFODSPWFLEDFXBS-UHFFFAOYSA-N
XLogP4.38
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-2-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (CID 42211540) is N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine is Cc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is FODSPWFLEDFXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-17-3-9-22(10-4-17)29-16-20(15-28(2)12-11-18-13-25-26-14-18)23(27-29)19-5-7-21(24)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,25,26).
What are the key properties of N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 389.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-2-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 42211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).