2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine

C25H28FN5 — CID 42453824

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCc1ccc(-n2cc(CN(C)CCc3c(C)n[nH]c3C)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H28FN5/c1-17-5-11-23(12-6-17)31-16-21(25(29-31)20-7-9-22(26)10-8-20)15-30(4)14-13-24-18(2)27-28-19(24)3/h5-12,16H,13-15H2,1-4H3,(H,27,28)
InChIKeyQIJFNRYFRMLUDJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.00
Rot. Bonds7

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine (PubChem CID 42453824) has the molecular formula C25H28FN5 and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine
PubChem CID42453824
Molecular FormulaC25H28FN5
Molecular Weight417.53 g/mol
Exact Mass417.23
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine
SMILESCc1ccc(-n2cc(CN(C)CCc3c(C)n[nH]c3C)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H28FN5/c1-17-5-11-23(12-6-17)31-16-21(25(29-31)20-7-9-22(26)10-8-20)15-30(4)14-13-24-18(2)27-28-19(24)3/h5-12,16H,13-15H2,1-4H3,(H,27,28)
InChIKeyQIJFNRYFRMLUDJ-UHFFFAOYSA-N
XLogP5.00
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
(R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890638
3-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 3544553
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine (CID 42453824) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine is Cc1ccc(-n2cc(CN(C)CCc3c(C)n[nH]c3C)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is QIJFNRYFRMLUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5/c1-17-5-11-23(12-6-17)31-16-21(25(29-31)20-7-9-22(26)10-8-20)15-30(4)14-13-24-18(2)27-28-19(24)3/h5-12,16H,13-15H2,1-4H3,(H,27,28).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 417.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 42453824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).