N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine

C24H25F2N5 — CID 42591952

IUPACN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1
InChIInChI=1S/C24H25F2N5/c1-16-6-4-5-7-21(16)24-19(14-27-10-11-30-18(3)12-17(2)28-30)15-31(29-24)23-9-8-20(25)13-22(23)26/h4-9,12-13,15,27H,10-11,14H2,1-3H3
InChIKeyUOTIYDYZFOCXGL-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.73
Rot. Bonds7

About N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine

N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 42591952) has the molecular formula C24H25F2N5 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID42591952
Molecular FormulaC24H25F2N5
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1
InChIInChI=1S/C24H25F2N5/c1-16-6-4-5-7-21(16)24-19(14-27-10-11-30-18(3)12-17(2)28-30)15-31(29-24)23-9-8-20(25)13-22(23)26/h4-9,12-13,15,27H,10-11,14H2,1-3H3
InChIKeyUOTIYDYZFOCXGL-UHFFFAOYSA-N
XLogP4.73
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 45234945
(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 28698029
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 25381885
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine
CID 26322474
N-[(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78804287
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70732263
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylpiperidine
CID 72545822
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115574536
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 25382523
[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70757494
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 45196019
[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
CID 5002414

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine (CID 42591952) is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(CCNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is UOTIYDYZFOCXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5/c1-16-6-4-5-7-21(16)24-19(14-27-10-11-30-18(3)12-17(2)28-30)15-31(29-24)23-9-8-20(25)13-22(23)26/h4-9,12-13,15,27H,10-11,14H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 421.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 42591952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).