N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

C21H19F2N5 — CID 42289775

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N5/c1-27(13-15-3-6-18(7-4-15)28-10-2-9-25-28)14-16-12-24-26-21(16)19-8-5-17(22)11-20(19)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyXNQFELLGNUDNJJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.17
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 42289775) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID42289775
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N5/c1-27(13-15-3-6-18(7-4-15)28-10-2-9-25-28)14-16-12-24-26-21(16)19-8-5-17(22)11-20(19)23/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyXNQFELLGNUDNJJ-UHFFFAOYSA-N
XLogP4.17
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.17
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
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1-phenylpyrazole
CID 136044103

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine (CID 42289775) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is CN(Cc1ccc(-n2cccn2)cc1)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is XNQFELLGNUDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-27(13-15-3-6-18(7-4-15)28-10-2-9-25-28)14-16-12-24-26-21(16)19-8-5-17(22)11-20(19)23/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 379.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 42289775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).